(3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one

C15H15N3O — CID 6384342

IUPAC(3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one
SMILESCn1cnc(C2CNC(=O)/C2=C\c2ccccc2)c1
InChIInChI=1S/C15H15N3O/c1-18-9-14(17-10-18)13-8-16-15(19)12(13)7-11-5-3-2-4-6-11/h2-7,9-10,13H,8H2,1H3,(H,16,19)/b12-7-
InChIKeyUKNFHVAQMUDAFF-GHXNOFRVSA-N
MW253.31 g/mol
LogP1.72
Rot. Bonds2

About (3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one

(3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one (PubChem CID 6384342) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one
PubChem CID6384342
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one
SMILESCn1cnc(C2CNC(=O)/C2=C\c2ccccc2)c1
InChIInChI=1S/C15H15N3O/c1-18-9-14(17-10-18)13-8-16-15(19)12(13)7-11-5-3-2-4-6-11/h2-7,9-10,13H,8H2,1H3,(H,16,19)/b12-7-
InChIKeyUKNFHVAQMUDAFF-GHXNOFRVSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one (CID 6384342) is (3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one is Cn1cnc(C2CNC(=O)/C2=C\c2ccccc2)c1.
What is the InChIKey of (3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one?
The InChIKey is UKNFHVAQMUDAFF-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H15N3O/c1-18-9-14(17-10-18)13-8-16-15(19)12(13)7-11-5-3-2-4-6-11/h2-7,9-10,13H,8H2,1H3,(H,16,19)/b12-7-.
What are the key properties of (3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one?
(3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one has a molecular weight of 253.31 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-benzylidene-4-(1-methylimidazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 6384342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).