N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide

C9H7NO2 — CID 134893326

IUPACN-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=CC=CC1=C=O
InChIInChI=1S/C9H7NO2/c1-7(12)10-9-5-3-2-4-8(9)6-11/h2-5H,1H3/b10-9+
InChIKeyJXPNAAFKDGRQRV-MDZDMXLPSA-N
MW161.16 g/mol
LogP0.86
Rot. Bonds

About N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide

N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide (PubChem CID 134893326) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide.

Molecular Properties

Compound NameN-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
PubChem CID134893326
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC NameN-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
SMILESCC(=O)/N=C1\C=CC=CC1=C=O
InChIInChI=1S/C9H7NO2/c1-7(12)10-9-5-3-2-4-8(9)6-11/h2-5H,1H3/b10-9+
InChIKeyJXPNAAFKDGRQRV-MDZDMXLPSA-N
XLogP0.86
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.86
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'}

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Related Compounds

Indol-2-one
CID 17904787
1-Benzazepin-2-one
CID 20244764
3-Methyl-oxoindole
CID 21477845
2,3-Dihydroquinolinone
CID 56625474
Carbonyl quinolinone
CID 71302596
3-fluoro-3H-quinolin-2-one
CID 119086068
[(6E)-6-methylimino-1-cyclohexa-2,4-dienylidene]methanone
CID 24975403
Benzo[g]quinoxalinedione
CID 85280093
Carbonyl-(methoxyimino)benzene
CID 86164698
(6-Propan-2-yliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893386
(6-Tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893458
N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide
CID 59850017

Frequently Asked Questions

What is the IUPAC name of N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide?
The IUPAC name of N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide (CID 134893326) is N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide.
What is the SMILES notation for N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide?
The canonical SMILES for N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide is CC(=O)/N=C1\C=CC=CC1=C=O.
What is the InChIKey of N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide?
The InChIKey is JXPNAAFKDGRQRV-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H7NO2/c1-7(12)10-9-5-3-2-4-8(9)6-11/h2-5H,1H3/b10-9+.
What are the key properties of N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide?
N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide has a molecular weight of 161.16 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide is sourced from PubChem (CID 134893326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).