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

C10H12N2O — CID 91158893

IUPACethane;3-methylideneimidazo[1,2-a]pyridin-2-one
SMILESC=C1C(=O)N=C2C=CC=CN12.CC
InChIInChI=1S/C8H6N2O.C2H6/c1-6-8(11)9-7-4-2-3-5-10(6)7;1-2/h2-5H,1H2;1-2H3
InChIKeyWFAFPVIHYXCNBK-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.85
Rot. Bonds

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

ethane;3-methylideneimidazo[1,2-a]pyridin-2-one (PubChem CID 91158893) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is ethane;3-methylideneimidazo[1,2-a]pyridin-2-one.

Molecular Properties

Compound Nameethane;3-methylideneimidazo[1,2-a]pyridin-2-one
PubChem CID91158893
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Nameethane;3-methylideneimidazo[1,2-a]pyridin-2-one
SMILESC=C1C(=O)N=C2C=CC=CN12.CC
InChIInChI=1S/C8H6N2O.C2H6/c1-6-8(11)9-7-4-2-3-5-10(6)7;1-2/h2-5H,1H2;1-2H3
InChIKeyWFAFPVIHYXCNBK-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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Related Compounds

Imidazo(1,2-a)pyridin-2(3H)-one
CID 541778
7-methyl-5H-pyrido[1,2-a][1,3]diazepin-2-one
CID 139231819
Imidazo[1,2-a]pyridin-2(3H)-one hydrochloride
CID 12299252
6-Methyl-2H-pyrido[1,2-a]pyrimidin-2-one
CID 21766687
3-Methylimidazo[1,2-a]pyridin-2(3H)-one
CID 12272291
5-Methylimidazo[1,2-a]pyridin-2(3H)-one
CID 12299249
7-methylimidazo[1,2-a]pyridin-2(3H)-one hydrochloride
CID 12299251
3,3-Dimethylimidazo[1,2-a]pyridin-2(3H)-one
CID 18008016
2-Methylideneimidazo[1,2-a]pyridin-3-one
CID 22964322
3-Methylideneimidazo[1,2-a]pyridin-2-one
CID 22964329
Imidazo[1,2-a]pyridin-2(3H)-one hydrobromide
CID 44121307
3-ethyl-3H-imidazo[1,2-a]pyridin-2-one
CID 59176751

Frequently Asked Questions

What is the IUPAC name of ethane;3-methylideneimidazo[1,2-a]pyridin-2-one?
The IUPAC name of ethane;3-methylideneimidazo[1,2-a]pyridin-2-one (CID 91158893) is ethane;3-methylideneimidazo[1,2-a]pyridin-2-one.
What is the SMILES notation for ethane;3-methylideneimidazo[1,2-a]pyridin-2-one?
The canonical SMILES for ethane;3-methylideneimidazo[1,2-a]pyridin-2-one is C=C1C(=O)N=C2C=CC=CN12.CC.
What is the InChIKey of ethane;3-methylideneimidazo[1,2-a]pyridin-2-one?
The InChIKey is WFAFPVIHYXCNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O.C2H6/c1-6-8(11)9-7-4-2-3-5-10(6)7;1-2/h2-5H,1H2;1-2H3.
What are the key properties of ethane;3-methylideneimidazo[1,2-a]pyridin-2-one?
ethane;3-methylideneimidazo[1,2-a]pyridin-2-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;3-methylideneimidazo[1,2-a]pyridin-2-one is sourced from PubChem (CID 91158893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).