1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one

C9H11N3O — CID 66823190

IUPAC1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one
SMILESO=C1CCCN1C=Cc1ncc[nH]1
InChIInChI=1S/C9H11N3O/c13-9-2-1-6-12(9)7-3-8-10-4-5-11-8/h3-5,7H,1-2,6H2,(H,10,11)
InChIKeyCESAXPHPXNZTEN-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.00
Rot. Bonds2

About 1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one

1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one (PubChem CID 66823190) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one
PubChem CID66823190
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one
SMILESO=C1CCCN1C=Cc1ncc[nH]1
InChIInChI=1S/C9H11N3O/c13-9-2-1-6-12(9)7-3-8-10-4-5-11-8/h3-5,7H,1-2,6H2,(H,10,11)
InChIKeyCESAXPHPXNZTEN-UHFFFAOYSA-N
XLogP1.00
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one (CID 66823190) is 1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one is O=C1CCCN1C=Cc1ncc[nH]1.
What is the InChIKey of 1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one?
The InChIKey is CESAXPHPXNZTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c13-9-2-1-6-12(9)7-3-8-10-4-5-11-8/h3-5,7H,1-2,6H2,(H,10,11).
What are the key properties of 1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one?
1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one has a molecular weight of 177.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-2-yl)ethenyl]pyrrolidin-2-one is sourced from PubChem (CID 66823190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).