2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one

C10H14N2O — CID 601153

IUPAC2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one
SMILESCC(C)=C1N=C2CCCCN2C1=O
InChIInChI=1S/C10H14N2O/c1-7(2)9-10(13)12-6-4-3-5-8(12)11-9/h3-6H2,1-2H3
InChIKeyCDXDWVCEHJQLBK-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.70
Rot. Bonds

About 2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one

2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one (PubChem CID 601153) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one.

Molecular Properties

Compound Name2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one
PubChem CID601153
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one
SMILESCC(C)=C1N=C2CCCCN2C1=O
InChIInChI=1S/C10H14N2O/c1-7(2)9-10(13)12-6-4-3-5-8(12)11-9/h3-6H2,1-2H3
InChIKeyCDXDWVCEHJQLBK-UHFFFAOYSA-N
XLogP1.70
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.70
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

2-Isopropylidene-2,5,6,7,8,9-hexahydro-imidazo[1,2-a]azepin-3-one
CID 605871
2,3-Dimethyl-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-4-one
CID 13183101
3-Methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten
CID 59974001
2-Ethyl-3-methyl-5-propan-2-ylideneimidazol-4-one
CID 170794448
5-Propan-2-yl-1,5,8-triazatricyclo[7.4.0.03,7]trideca-3(7),8-diene-2,6-dione
CID 10824393
3-Methanidyl-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one;tungsten(2+)
CID 20707058
2-Ethylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one
CID 130738790
(2E)-2-ethylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one
CID 133670122

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one?
The IUPAC name of 2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one (CID 601153) is 2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one.
What is the SMILES notation for 2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one?
The canonical SMILES for 2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one is CC(C)=C1N=C2CCCCN2C1=O.
What is the InChIKey of 2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one?
The InChIKey is CDXDWVCEHJQLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-7(2)9-10(13)12-6-4-3-5-8(12)11-9/h3-6H2,1-2H3.
What are the key properties of 2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one?
2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one has a molecular weight of 178.23 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylidene-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-one is sourced from PubChem (CID 601153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).