2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one

C10H14N2O — CID 130893152

IUPAC2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
SMILESCC=C1N=C2CCCCCN2C1=O
InChIInChI=1S/C10H14N2O/c1-2-8-10(13)12-7-5-3-4-6-9(12)11-8/h2H,3-7H2,1H3
InChIKeyVEGKWBYZZAJDFE-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.70
Rot. Bonds

About 2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one

2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one (PubChem CID 130893152) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one.

Molecular Properties

Compound Name2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
PubChem CID130893152
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
SMILESCC=C1N=C2CCCCCN2C1=O
InChIInChI=1S/C10H14N2O/c1-2-8-10(13)12-7-5-3-4-6-9(12)11-8/h2H,3-7H2,1H3
InChIKeyVEGKWBYZZAJDFE-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 ≤ 500178.24
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-methyl-7,8,9,10-tetrahydropyrimido[1,2-a]azepin-4(6H)-one
CID 718922
2-Isopropylidene-2,5,6,7,8,9-hexahydro-imidazo[1,2-a]azepin-3-one
CID 605871
4,6,7,8,9,10-Hexahydropyrimido[1,2-a]azepine-2-carboxamide
CID 67377057
4-oxo-7,8,9,10-tetrahydro-6H-pyrimido[1,2-a]azepine-2-carboxamide
CID 91388837
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
(2E)-2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
CID 133678283

Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one?
The IUPAC name of 2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one (CID 130893152) is 2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one.
What is the SMILES notation for 2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one?
The canonical SMILES for 2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one is CC=C1N=C2CCCCCN2C1=O.
What is the InChIKey of 2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one?
The InChIKey is VEGKWBYZZAJDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-8-10(13)12-7-5-3-4-6-9(12)11-8/h2H,3-7H2,1H3.
What are the key properties of 2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one?
2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one has a molecular weight of 178.24 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-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one is sourced from PubChem (CID 130893152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).