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

C8H7NO — CID 24975403

IUPAC(6-methyliminocyclohexa-2,4-dien-1-ylidene)methanone
SMILESC/N=C1\C=CC=CC1=C=O
InChIInChI=1S/C8H7NO/c1-9-8-5-3-2-4-7(8)6-10/h2-5H,1H3/b9-8+
InChIKeyFZBBEBSDMBPFTF-CMDGGOBGSA-N
MW133.15 g/mol
LogP0.94
Rot. Bonds

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

(6-methyliminocyclohexa-2,4-dien-1-ylidene)methanone (PubChem CID 24975403) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is (6-methyliminocyclohexa-2,4-dien-1-ylidene)methanone.

Molecular Properties

Compound Name(6-methyliminocyclohexa-2,4-dien-1-ylidene)methanone
PubChem CID24975403
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name(6-methyliminocyclohexa-2,4-dien-1-ylidene)methanone
SMILESC/N=C1\C=CC=CC1=C=O
InChIInChI=1S/C8H7NO/c1-9-8-5-3-2-4-7(8)6-10/h2-5H,1H3/b9-8+
InChIKeyFZBBEBSDMBPFTF-CMDGGOBGSA-N
XLogP0.94
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (6-methyliminocyclohexa-2,4-dien-1-ylidene)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbonylindole
CID 12913531
2,3-Dihydroquinolinone
CID 56625474
Carbonyl-(methoxyimino)benzene
CID 86164698
[(6E)-6-methylsulfanyliminocyclohexa-2,4-dien-1-ylidene]methanone
CID 134873672
N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
CID 134893326
(6-Propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893386
(6-Tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893458
N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 12504459
(5-Methylindol-2-ylidene)methanone
CID 21327252
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
N-methyl-6-propan-2-ylidenecyclohexa-2,4-dien-1-imine
CID 66781145
(6Z)-6-ethylidene-N-methylcyclohexa-2,4-dien-1-imine
CID 70313547

Frequently Asked Questions

What is the IUPAC name of (6-methyliminocyclohexa-2,4-dien-1-ylidene)methanone?
The IUPAC name of (6-methyliminocyclohexa-2,4-dien-1-ylidene)methanone (CID 24975403) is (6-methyliminocyclohexa-2,4-dien-1-ylidene)methanone.
What is the SMILES notation for (6-methyliminocyclohexa-2,4-dien-1-ylidene)methanone?
The canonical SMILES for (6-methyliminocyclohexa-2,4-dien-1-ylidene)methanone is C/N=C1\C=CC=CC1=C=O.
What is the InChIKey of (6-methyliminocyclohexa-2,4-dien-1-ylidene)methanone?
The InChIKey is FZBBEBSDMBPFTF-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H7NO/c1-9-8-5-3-2-4-7(8)6-10/h2-5H,1H3/b9-8+.
What are the key properties of (6-methyliminocyclohexa-2,4-dien-1-ylidene)methanone?
(6-methyliminocyclohexa-2,4-dien-1-ylidene)methanone has a molecular weight of 133.15 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyliminocyclohexa-2,4-dien-1-ylidene)methanone is sourced from PubChem (CID 24975403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).