4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one

C17H19N3O — CID 168683756

IUPAC4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(Cn2ccnc2)c2ccccc2)C1
InChIInChI=1S/C17H19N3O/c1-2-14-10-17(21)20(11-14)16(12-19-9-8-18-13-19)15-6-4-3-5-7-15/h2-9,13-14,16H,1,10-12H2
InChIKeyCXNKORQPTJDOPU-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.66
Rot. Bonds5

About 4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one

4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one (PubChem CID 168683756) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one
PubChem CID168683756
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(Cn2ccnc2)c2ccccc2)C1
InChIInChI=1S/C17H19N3O/c1-2-14-10-17(21)20(11-14)16(12-19-9-8-18-13-19)15-6-4-3-5-7-15/h2-9,13-14,16H,1,10-12H2
InChIKeyCXNKORQPTJDOPU-UHFFFAOYSA-N
XLogP2.66
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethynyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one
CID 168500117
4-cyclohexyl-1-[(1R)-2-imidazol-1-yl-1-phenylethyl]triazole
CID 95203761
5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168713349
2-imidazol-1-yl-1-phenylethanamine
CID 5195236
1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168683556
3-imidazol-1-yl-2-phenylpropan-1-amine
CID 64538242
1-[2-(4-fluorophenyl)-2-phenylethyl]imidazole
CID 14211259
(2-imidazol-1-yl-1-phenylethyl) methanedithioate
CID 21421121
O-[(1R)-2-imidazol-1-yl-1-phenylethyl] methanethioate
CID 22798678
4-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168683636
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168683655

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one (CID 168683756) is 4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one is C=CC1CC(=O)N(C(Cn2ccnc2)c2ccccc2)C1.
What is the InChIKey of 4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one?
The InChIKey is CXNKORQPTJDOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-14-10-17(21)20(11-14)16(12-19-9-8-18-13-19)15-6-4-3-5-7-15/h2-9,13-14,16H,1,10-12H2.
What are the key properties of 4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one?
4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one has a molecular weight of 281.36 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(2-imidazol-1-yl-1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 168683756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).