(E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one

C15H19NO — CID 110297176

IUPAC(E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one
SMILESCC/C(=C\C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C15H19NO/c1-2-13(14-8-4-3-5-9-14)12-15(17)16-10-6-7-11-16/h3-5,8-9,12H,2,6-7,10-11H2,1H3/b13-12+
InChIKeyPPDKZAFZLJDIKW-OUKQBFOZSA-N
MW229.32 g/mol
LogP3.10
Rot. Bonds3

About (E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one

(E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one (PubChem CID 110297176) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one.

Molecular Properties

Compound Name(E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one
PubChem CID110297176
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one
SMILESCC/C(=C\C(=O)N1CCCC1)c1ccccc1
InChIInChI=1S/C15H19NO/c1-2-13(14-8-4-3-5-9-14)12-15(17)16-10-6-7-11-16/h3-5,8-9,12H,2,6-7,10-11H2,1H3/b13-12+
InChIKeyPPDKZAFZLJDIKW-OUKQBFOZSA-N
XLogP3.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpent-2-en-1-one
CID 110619017
(E)-1-(azepan-1-yl)-3-phenylbut-2-en-1-one
CID 110297075
(E)-3-phenyl-1-(4-pyridin-2-ylpiperazin-1-yl)pent-2-en-1-one
CID 110297208
1-[(E)-3-phenylpent-2-enoyl]pyrrolidin-2-one
CID 13001699
(E)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-phenylpent-2-en-1-one
CID 110304869
(E)-3-[4-(pyrrolidine-1-carbonyl)phenyl]pent-2-enoic acid
CID 83959554
(Z)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)-3-phenylbut-2-en-1-one
CID 51088984
(Z)-1,3-diphenyl-3-piperidin-1-ylprop-2-en-1-one
CID 6377486
(E)-3-(azepan-1-yl)-1,3-diphenylprop-2-en-1-one
CID 11324202
(E)-1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-3-phenylbut-2-en-1-one
CID 110617854
5-methylhepta-3,5-dien-3-ylbenzene
CID 123274191
4-[(E)-1-carboxybut-1-en-2-yl]benzoic acid
CID 83959454

Frequently Asked Questions

What is the IUPAC name of (E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one?
The IUPAC name of (E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one (CID 110297176) is (E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one.
What is the SMILES notation for (E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one?
The canonical SMILES for (E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one is CC/C(=C\C(=O)N1CCCC1)c1ccccc1.
What is the InChIKey of (E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one?
The InChIKey is PPDKZAFZLJDIKW-OUKQBFOZSA-N. The full InChI is InChI=1S/C15H19NO/c1-2-13(14-8-4-3-5-9-14)12-15(17)16-10-6-7-11-16/h3-5,8-9,12H,2,6-7,10-11H2,1H3/b13-12+.
What are the key properties of (E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one?
(E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one has a molecular weight of 229.32 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenyl-1-pyrrolidin-1-ylpent-2-en-1-one is sourced from PubChem (CID 110297176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).