(5Z)-5-phenacylidenepyrrolidin-2-one

C12H11NO2 — CID 131465370

IUPAC(5Z)-5-phenacylidenepyrrolidin-2-one
SMILESO=C1CC/C(=C/C(=O)c2ccccc2)N1
InChIInChI=1S/C12H11NO2/c14-11(9-4-2-1-3-5-9)8-10-6-7-12(15)13-10/h1-5,8H,6-7H2,(H,13,15)/b10-8-
InChIKeySUKPBJPVZYSAID-NTMALXAHSA-N
MW201.23 g/mol
LogP1.66
Rot. Bonds2

About (5Z)-5-phenacylidenepyrrolidin-2-one

(5Z)-5-phenacylidenepyrrolidin-2-one (PubChem CID 131465370) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is (5Z)-5-phenacylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-phenacylidenepyrrolidin-2-one
PubChem CID131465370
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name(5Z)-5-phenacylidenepyrrolidin-2-one
SMILESO=C1CC/C(=C/C(=O)c2ccccc2)N1
InChIInChI=1S/C12H11NO2/c14-11(9-4-2-1-3-5-9)8-10-6-7-12(15)13-10/h1-5,8H,6-7H2,(H,13,15)/b10-8-
InChIKeySUKPBJPVZYSAID-NTMALXAHSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2E)-2-phenacylidenecycloheptan-1-one
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5-(hydroxymethylidene)pyrrolidin-2-one
CID 154112333
(3Z)-3-phenacylidene-1H-indol-2-one
CID 682362
pyrrolidine-2,5-dione;stilbene
CID 70488570
2-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-ylidene]-1-phenylethanone
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4-fluorobenzoic acid;pyrrolidine-2,5-dione
CID 174629603
(2E)-2-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)-1-phenylethanone
CID 10932882
6-benzoyl-3,4-dihydro-1H-pyridin-2-one
CID 139944909
(2Z)-2-[(3Z,4aR,8aS)-3-phenacylidene-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-ylidene]-1-phenylethanone
CID 6478617

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-phenacylidenepyrrolidin-2-one?
The IUPAC name of (5Z)-5-phenacylidenepyrrolidin-2-one (CID 131465370) is (5Z)-5-phenacylidenepyrrolidin-2-one.
What is the SMILES notation for (5Z)-5-phenacylidenepyrrolidin-2-one?
The canonical SMILES for (5Z)-5-phenacylidenepyrrolidin-2-one is O=C1CC/C(=C/C(=O)c2ccccc2)N1.
What is the InChIKey of (5Z)-5-phenacylidenepyrrolidin-2-one?
The InChIKey is SUKPBJPVZYSAID-NTMALXAHSA-N. The full InChI is InChI=1S/C12H11NO2/c14-11(9-4-2-1-3-5-9)8-10-6-7-12(15)13-10/h1-5,8H,6-7H2,(H,13,15)/b10-8-.
What are the key properties of (5Z)-5-phenacylidenepyrrolidin-2-one?
(5Z)-5-phenacylidenepyrrolidin-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-phenacylidenepyrrolidin-2-one is sourced from PubChem (CID 131465370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).