(6-iminocyclohexa-2,4-dien-1-ylidene)methanone

C7H5NO — CID 12896155

IUPAC(6-iminocyclohexa-2,4-dien-1-ylidene)methanone
SMILES[H]/N=C1\C=CC=CC1=C=O
InChIInChI=1S/C7H5NO/c8-7-4-2-1-3-6(7)5-9/h1-4,8H/b8-7+
InChIKeyZWHBMBVIYUVTGT-BQYQJAHWSA-N
MW119.12 g/mol
LogP0.89
Rot. Bonds

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

(6-iminocyclohexa-2,4-dien-1-ylidene)methanone (PubChem CID 12896155) has the molecular formula C7H5NO and a molecular weight of 119.12 g/mol. Its IUPAC name is (6-iminocyclohexa-2,4-dien-1-ylidene)methanone.

Molecular Properties

Compound Name(6-iminocyclohexa-2,4-dien-1-ylidene)methanone
PubChem CID12896155
Molecular FormulaC7H5NO
Molecular Weight119.12 g/mol
Exact Mass119.04
IUPAC Name(6-iminocyclohexa-2,4-dien-1-ylidene)methanone
SMILES[H]/N=C1\C=CC=CC1=C=O
InChIInChI=1S/C7H5NO/c8-7-4-2-1-3-6(7)5-9/h1-4,8H/b8-7+
InChIKeyZWHBMBVIYUVTGT-BQYQJAHWSA-N
XLogP0.89
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Methylenecyclohexa-2,4-dienimine
CID 10909510
6-Imino-4-methylcyclohexa-2,4-dien-1-one
CID 101512393
(6-Iminocyclohex-2-en-1-ylidene)methanone
CID 57176337
6-Imino-3-methylcyclohexa-2,4-dien-1-one
CID 130027521
(4Z)-3-imino-6-methylhepta-4,6-dien-2-one
CID 141804815
(6-Methylidenecyclohexa-2,4-dien-1-ylidene)azanium
CID 85923937
(2E)-2-(6-iminocyclohexa-2,4-dien-1-ylidene)acetaldehyde
CID 101924026
Cadmium(2+);(6-iminocyclohexa-2,4-dien-1-ylidene)methanediolate
CID 131634029
CID 136670723
CID 136670723
(6-Iminocyclohexa-2,4-dien-1-ylidene)acetaldehyde
CID 137212628
(1Z)-1-(6-iminocyclohexa-2,4-dien-1-ylidene)propan-2-one
CID 177630885

Frequently Asked Questions

What is the IUPAC name of (6-iminocyclohexa-2,4-dien-1-ylidene)methanone?
The IUPAC name of (6-iminocyclohexa-2,4-dien-1-ylidene)methanone (CID 12896155) is (6-iminocyclohexa-2,4-dien-1-ylidene)methanone.
What is the SMILES notation for (6-iminocyclohexa-2,4-dien-1-ylidene)methanone?
The canonical SMILES for (6-iminocyclohexa-2,4-dien-1-ylidene)methanone is [H]/N=C1\C=CC=CC1=C=O.
What is the InChIKey of (6-iminocyclohexa-2,4-dien-1-ylidene)methanone?
The InChIKey is ZWHBMBVIYUVTGT-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H5NO/c8-7-4-2-1-3-6(7)5-9/h1-4,8H/b8-7+.
What are the key properties of (6-iminocyclohexa-2,4-dien-1-ylidene)methanone?
(6-iminocyclohexa-2,4-dien-1-ylidene)methanone has a molecular weight of 119.12 g/mol, XLogP of 0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-iminocyclohexa-2,4-dien-1-ylidene)methanone is sourced from PubChem (CID 12896155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).