4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one

C10H13N3O — CID 168685510

IUPAC4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(Cc2ncc[nH]2)C1
InChIInChI=1S/C10H13N3O/c1-2-8-5-10(14)13(6-8)7-9-11-3-4-12-9/h2-4,8H,1,5-7H2,(H,11,12)
InChIKeyZXIYLLONTGFFMS-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.94
Rot. Bonds3

About 4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one

4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one (PubChem CID 168685510) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one
PubChem CID168685510
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(Cc2ncc[nH]2)C1
InChIInChI=1S/C10H13N3O/c1-2-8-5-10(14)13(6-8)7-9-11-3-4-12-9/h2-4,8H,1,5-7H2,(H,11,12)
InChIKeyZXIYLLONTGFFMS-UHFFFAOYSA-N
XLogP0.94
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-imidazol-2-ylmethyl)-4-propylpyrrolidin-2-one
CID 67367469
1-(1H-imidazol-2-ylmethyl)-4-phenylpyrrolidin-2-one
CID 67327221
4-ethenyl-1-(quinoxalin-6-ylmethyl)pyrrolidin-2-one
CID 168685460
4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one
CID 168684919
4-ethenyl-1-(3-trihydroxysilylpropyl)pyrrolidin-2-one
CID 168685234
4-ethenyl-1-(quinoxalin-2-ylmethyl)pyrrolidin-2-one
CID 168685508
4-ethenyl-1-(isoquinolin-3-ylmethyl)pyrrolidin-2-one
CID 168685452
4-ethenyl-1-[2-(1H-imidazol-5-yl)ethyl]pyrrolidin-2-one
CID 168685338
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168685350
4-(1H-imidazol-2-ylmethyl)-1,2,4-triazolidine-3,5-dione
CID 107409789
3-(1H-imidazol-2-ylmethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64531542

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one (CID 168685510) is 4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one is C=CC1CC(=O)N(Cc2ncc[nH]2)C1.
What is the InChIKey of 4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is ZXIYLLONTGFFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-2-8-5-10(14)13(6-8)7-9-11-3-4-12-9/h2-4,8H,1,5-7H2,(H,11,12).
What are the key properties of 4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one?
4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(1H-imidazol-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 168685510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).