ethane;2-methylideneimidazo[1,2-a]pyridin-3-one

C10H12N2O — CID 91352293

IUPACethane;2-methylideneimidazo[1,2-a]pyridin-3-one
SMILESC=C1N=C2C=CC=CN2C1=O.CC
InChIInChI=1S/C8H6N2O.C2H6/c1-6-8(11)10-5-3-2-4-7(10)9-6;1-2/h2-5H,1H2;1-2H3
InChIKeyXPLXNFUVVSSJDI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.85
Rot. Bonds

About ethane;2-methylideneimidazo[1,2-a]pyridin-3-one

ethane;2-methylideneimidazo[1,2-a]pyridin-3-one (PubChem CID 91352293) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is ethane;2-methylideneimidazo[1,2-a]pyridin-3-one.

Molecular Properties

Compound Nameethane;2-methylideneimidazo[1,2-a]pyridin-3-one
PubChem CID91352293
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Nameethane;2-methylideneimidazo[1,2-a]pyridin-3-one
SMILESC=C1N=C2C=CC=CN2C1=O.CC
InChIInChI=1S/C8H6N2O.C2H6/c1-6-8(11)10-5-3-2-4-7(10)9-6;1-2/h2-5H,1H2;1-2H3
InChIKeyXPLXNFUVVSSJDI-UHFFFAOYSA-N
XLogP1.85
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 ethane;2-methylideneimidazo[1,2-a]pyridin-3-one?
The IUPAC name of ethane;2-methylideneimidazo[1,2-a]pyridin-3-one (CID 91352293) is ethane;2-methylideneimidazo[1,2-a]pyridin-3-one.
What is the SMILES notation for ethane;2-methylideneimidazo[1,2-a]pyridin-3-one?
The canonical SMILES for ethane;2-methylideneimidazo[1,2-a]pyridin-3-one is C=C1N=C2C=CC=CN2C1=O.CC.
What is the InChIKey of ethane;2-methylideneimidazo[1,2-a]pyridin-3-one?
The InChIKey is XPLXNFUVVSSJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.C2H6/c1-6-8(11)10-5-3-2-4-7(10)9-6;1-2/h2-5H,1H2;1-2H3.
What are the key properties of ethane;2-methylideneimidazo[1,2-a]pyridin-3-one?
ethane;2-methylideneimidazo[1,2-a]pyridin-3-one has a molecular weight of 176.22 g/mol, XLogP of 1.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylideneimidazo[1,2-a]pyridin-3-one is sourced from PubChem (CID 91352293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).