2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one

C12H13NO — CID 90755764

IUPAC2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one
SMILES[H]/N=C1\C=CC=CC1=C1CCCCC1=O
InChIInChI=1S/C12H13NO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7,13H,2,4,6,8H2/b10-9?,13-11+
InChIKeyCVEFDXFLLQACON-RBEUKITRSA-N
MW187.24 g/mol
LogP2.57
Rot. Bonds

About 2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one

2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one (PubChem CID 90755764) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one.

Molecular Properties

Compound Name2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one
PubChem CID90755764
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one
SMILES[H]/N=C1\C=CC=CC1=C1CCCCC1=O
InChIInChI=1S/C12H13NO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7,13H,2,4,6,8H2/b10-9?,13-11+
InChIKeyCVEFDXFLLQACON-RBEUKITRSA-N
XLogP2.57
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-Cyclohexa-1,5-dien-1-yl-4-iminobutanoyl fluoride
CID 143182883
1-(6-Iminocyclohexa-1,3-dien-1-yl)ethanone
CID 134843797
(9E)-9-hydrazinylidene-2H-phenalen-1-one
CID 20450517
9-hydrazinylidene-2H-phenalen-1-one
CID 73707662
1-(4-Imino-2,6-dimethylcyclohexa-1,5-dien-1-yl)ethanone
CID 123555746
4-imino-2-[(2E)-2-prop-2-enylhexa-2,4-dienyl]cyclopent-2-en-1-one
CID 123775770
1-(5-Ethanimidoylcyclohexa-1,5-dien-1-yl)ethanone
CID 129215798
(5Z,6E)-5-ethylidene-2-imino-6-prop-2-enylidenecyclohex-3-en-1-one
CID 138657118
(Z,5E)-5-ethylidene-1-imino-1-(2,3,4,9-tetrahydro-1H-benzo[7]annulen-7-yl)non-6-en-4-one
CID 139563439
2-Acetyl-6-iminocyclohexa-2,4-dien-1-one
CID 141182044
2-imino-4,5-dihydro-3H-inden-1-one
CID 141322519
2,3-Diethyl-6-iminocyclohexa-2,4-dien-1-one
CID 141341938

Frequently Asked Questions

What is the IUPAC name of 2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one?
The IUPAC name of 2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one (CID 90755764) is 2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one.
What is the SMILES notation for 2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one?
The canonical SMILES for 2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one is [H]/N=C1\C=CC=CC1=C1CCCCC1=O.
What is the InChIKey of 2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one?
The InChIKey is CVEFDXFLLQACON-RBEUKITRSA-N. The full InChI is InChI=1S/C12H13NO/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1,3,5,7,13H,2,4,6,8H2/b10-9?,13-11+.
What are the key properties of 2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one?
2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one has a molecular weight of 187.24 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-iminocyclohexa-2,4-dien-1-ylidene)cyclohexan-1-one is sourced from PubChem (CID 90755764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).