3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one

C13H14N2O — CID 18008007

IUPAC3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one
SMILESC=CCC1(CC=C)C(=O)N=C2C=CC=CN21
InChIInChI=1S/C13H14N2O/c1-3-8-13(9-4-2)12(16)14-11-7-5-6-10-15(11)13/h3-7,10H,1-2,8-9H2
InChIKeyKNDQAKRZYIPGRK-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.20
Rot. Bonds4

About 3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one

3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one (PubChem CID 18008007) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one.

Molecular Properties

Compound Name3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one
PubChem CID18008007
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one
SMILESC=CCC1(CC=C)C(=O)N=C2C=CC=CN21
InChIInChI=1S/C13H14N2O/c1-3-8-13(9-4-2)12(16)14-11-7-5-6-10-15(11)13/h3-7,10H,1-2,8-9H2
InChIKeyKNDQAKRZYIPGRK-UHFFFAOYSA-N
XLogP2.20
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one?
The IUPAC name of 3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one (CID 18008007) is 3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one.
What is the SMILES notation for 3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one?
The canonical SMILES for 3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one is C=CCC1(CC=C)C(=O)N=C2C=CC=CN21.
What is the InChIKey of 3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one?
The InChIKey is KNDQAKRZYIPGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-8-13(9-4-2)12(16)14-11-7-5-6-10-15(11)13/h3-7,10H,1-2,8-9H2.
What are the key properties of 3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one?
3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one has a molecular weight of 214.27 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(prop-2-enyl)imidazo[1,2-a]pyridin-2-one is sourced from PubChem (CID 18008007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).