1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one

C13H13NO2 — CID 763255

IUPAC1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one
SMILESO=C(/C=C/c1ccccc1)N1CCCC1=O
InChIInChI=1S/C13H13NO2/c15-12-7-4-10-14(12)13(16)9-8-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2/b9-8+
InChIKeyNFZJMRAKWPGACP-CMDGGOBGSA-N
MW215.25 g/mol
LogP1.85
Rot. Bonds2

About 1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one

1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one (PubChem CID 763255) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one
PubChem CID763255
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one
SMILESO=C(/C=C/c1ccccc1)N1CCCC1=O
InChIInChI=1S/C13H13NO2/c15-12-7-4-10-14(12)13(16)9-8-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2/b9-8+
InChIKeyNFZJMRAKWPGACP-CMDGGOBGSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
Benzylmaleimide
CID 74204
1-Benzyl-3-pyrrolidone
CID 79176
Maleimide, N-phenethyl-
CID 243296
(E)-3-Phenyl-1-(pyrrolidino)-2-propen-1-one
CID 765514
2,5-Pyrrolidinedione, 1-(2-phenylethyl)-
CID 95826
N-(3-Phenylpropyl)maleimide
CID 576189
N,N-Diethylcinnamamide
CID 817779
3-Phenyl-1-(pyrrolidin-1-yl)propan-1-one
CID 1533088
Piperidine, 1-(1-oxo-3-phenyl-2-propenyl)-
CID 223147
(E)-3-Phenyl-1-Piperidin-1-Ylprop-2-En-1-One
CID 764160
2-Pyrrolidinone, 1-benzoyl-
CID 98624

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one?
The IUPAC name of 1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one (CID 763255) is 1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one is O=C(/C=C/c1ccccc1)N1CCCC1=O.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one?
The InChIKey is NFZJMRAKWPGACP-CMDGGOBGSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-7-4-10-14(12)13(16)9-8-11-5-2-1-3-6-11/h1-3,5-6,8-9H,4,7,10H2/b9-8+.
What are the key properties of 1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one?
1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one has a molecular weight of 215.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enoyl]pyrrolidin-2-one is sourced from PubChem (CID 763255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).