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

C11H16N2O — CID 605871

IUPAC2-propan-2-ylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
SMILESCC(C)=C1N=C2CCCCCN2C1=O
InChIInChI=1S/C11H16N2O/c1-8(2)10-11(14)13-7-5-3-4-6-9(13)12-10/h3-7H2,1-2H3
InChIKeyOVXDQSJAURRABQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.10
Rot. Bonds

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

2-propan-2-ylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one (PubChem CID 605871) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-propan-2-ylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one.

Molecular Properties

Compound Name2-propan-2-ylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
PubChem CID605871
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-propan-2-ylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
SMILESCC(C)=C1N=C2CCCCCN2C1=O
InChIInChI=1S/C11H16N2O/c1-8(2)10-11(14)13-7-5-3-4-6-9(13)12-10/h3-7H2,1-2H3
InChIKeyOVXDQSJAURRABQ-UHFFFAOYSA-N
XLogP2.10
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.10
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-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one
CID 601153
2-ethylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
CID 130893152
2,3-Di(propan-2-yl)-5-propan-2-ylideneimidazol-4-one
CID 172149430
(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-propan-2-ylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one?
The IUPAC name of 2-propan-2-ylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one (CID 605871) is 2-propan-2-ylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one.
What is the SMILES notation for 2-propan-2-ylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one?
The canonical SMILES for 2-propan-2-ylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one is CC(C)=C1N=C2CCCCCN2C1=O.
What is the InChIKey of 2-propan-2-ylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one?
The InChIKey is OVXDQSJAURRABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)10-11(14)13-7-5-3-4-6-9(13)12-10/h3-7H2,1-2H3.
What are the key properties of 2-propan-2-ylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one?
2-propan-2-ylidene-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one has a molecular weight of 192.26 g/mol, XLogP of 2.10, 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-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one is sourced from PubChem (CID 605871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).