Piperlotine A

Catalog Number	ACM389572707
CAS Number	389572-70-7
Structure
Synonyms	1-[(2E)-3-(4-Methoxyphenyl)-1-oxo-2-propenyl]pyrrolidine
IUPAC Name	(E)-3-(4-methoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
Molecular Weight	231.29
Molecular Formula	C14H17NO2
Canonical SMILES	COC1=CC=C(C=C1)/C=C/C(=O)N2CCCC2
InChI	InChI=1S/C14H17NO2/c1-17-13-7-4-12(5-8-13)6-9-14(16)15-10-2-3-11-15/h4-9H,2-3,10-11H2,1H3/b9-6+
InChI Key	JYEDISZKFNNREA-RMKNXTFCSA-N
Melting Point	117-118 °C
Purity	98%
Appearance	Solid
Complexity	274
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Exact Mass	231.125928785
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isomeric SMILES	COC1=CC=C(C=C1)/C=C/C(=O)N2CCCC2
Monoisotopic Mass	231.125928785
PhysicalState	Powder
Rotatable Bond Count	3
Topological Polar Surface Area	29.5 Ų

Custom Q&A

What is the product name of this compound?

The product name is Piperlotine A.

What are some synonyms for Piperlotine A?

Some synonyms for Piperlotine A include 1-[(2E)-3-(4-Methoxyphenyl)-1-oxo-2-propenyl]pyrrolidine and 2-Propen-1-one, 3-(4-methoxyphenyl)-1-(1-pyrrolidinyl)-, (2E)-.

What is the CAS number for Piperlotine A?

The CAS number for Piperlotine A is 389572-70-7.

What is the molecular formula of Piperlotine A?

The molecular formula of Piperlotine A is C14H17NO2.

What is the molecular weight of Piperlotine A?

The molecular weight of Piperlotine A is 231.29.

What product category does Piperlotine A belong to?

Piperlotine A belongs to the category of alkaloids.

What is the melting point of Piperlotine A?

The melting point of Piperlotine A is 117-118℃.

What is the boiling point of Piperlotine A?

The predicted boiling point of Piperlotine A is 436.0±24.0 °C.

What is the predicted density of Piperlotine A?

The predicted density of Piperlotine A is 1.134±0.06 g/cm3.

What is the predicted pka value of Piperlotine A?

The predicted pka value of Piperlotine A is -0.88±0.20.

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