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

C8H7NO2 — CID 86164698

IUPAC(6-methoxyiminocyclohexa-2,4-dien-1-ylidene)methanone
SMILESCON=C1C=CC=CC1=C=O
InChIInChI=1S/C8H7NO2/c1-11-9-8-5-3-2-4-7(8)6-10/h2-5H,1H3
InChIKeyZPENEEZHRPEIAV-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.87
Rot. Bonds1

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

(6-methoxyiminocyclohexa-2,4-dien-1-ylidene)methanone (PubChem CID 86164698) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is (6-methoxyiminocyclohexa-2,4-dien-1-ylidene)methanone.

Molecular Properties

Compound Name(6-methoxyiminocyclohexa-2,4-dien-1-ylidene)methanone
PubChem CID86164698
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name(6-methoxyiminocyclohexa-2,4-dien-1-ylidene)methanone
SMILESCON=C1C=CC=CC1=C=O
InChIInChI=1S/C8H7NO2/c1-11-9-8-5-3-2-4-7(8)6-10/h2-5H,1H3
InChIKeyZPENEEZHRPEIAV-UHFFFAOYSA-N
XLogP0.87
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6-methoxyiminocyclohexa-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

[(6E)-6-methylimino-1-cyclohexa-2,4-dienylidene]methanone
CID 24975403
N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
CID 134893326
[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium
CID 155936514
N-ethoxycyclohexa-2,4-dien-1-imine
CID 53763905
1-(4-Methoxyiminocyclohexa-1,5-dien-1-yl)ethanone
CID 53916875
2,1-Benzoxazepine
CID 86223317
1-N,2-N-dimethoxycyclohexa-3,5-diene-1,2-diimine
CID 87328335
(Z)-N-methoxy-6-methylidenecyclohexa-2,4-dien-1-imine
CID 89126520
(E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine
CID 89331310
(E,4E)-N-methoxy-4-methylhepta-4,6-dien-3-imine
CID 89519905
N-methoxy-4-methylhepta-4,6-dien-3-imine
CID 123417580
(E)-1-cyclohexa-1,5-dien-1-yl-N-ethoxyethanimine;ethane
CID 141889394

Frequently Asked Questions

What is the IUPAC name of (6-methoxyiminocyclohexa-2,4-dien-1-ylidene)methanone?
The IUPAC name of (6-methoxyiminocyclohexa-2,4-dien-1-ylidene)methanone (CID 86164698) is (6-methoxyiminocyclohexa-2,4-dien-1-ylidene)methanone.
What is the SMILES notation for (6-methoxyiminocyclohexa-2,4-dien-1-ylidene)methanone?
The canonical SMILES for (6-methoxyiminocyclohexa-2,4-dien-1-ylidene)methanone is CON=C1C=CC=CC1=C=O.
What is the InChIKey of (6-methoxyiminocyclohexa-2,4-dien-1-ylidene)methanone?
The InChIKey is ZPENEEZHRPEIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c1-11-9-8-5-3-2-4-7(8)6-10/h2-5H,1H3.
What are the key properties of (6-methoxyiminocyclohexa-2,4-dien-1-ylidene)methanone?
(6-methoxyiminocyclohexa-2,4-dien-1-ylidene)methanone has a molecular weight of 149.15 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxyiminocyclohexa-2,4-dien-1-ylidene)methanone is sourced from PubChem (CID 86164698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).