(E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine

C9H13NO — CID 89331310

IUPAC(E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine
SMILESCO/N=C(\C)C1=CCCC=C1
InChIInChI=1S/C9H13NO/c1-8(10-11-2)9-6-4-3-5-7-9/h4,6-7H,3,5H2,1-2H3/b10-8+
InChIKeyXJNRANQJZCGZLL-CSKARUKUSA-N
MW151.21 g/mol
LogP2.29
Rot. Bonds2

About (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine

(E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine (PubChem CID 89331310) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine
PubChem CID89331310
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine
SMILESCO/N=C(\C)C1=CCCC=C1
InChIInChI=1S/C9H13NO/c1-8(10-11-2)9-6-4-3-5-7-9/h4,6-7H,3,5H2,1-2H3/b10-8+
InChIKeyXJNRANQJZCGZLL-CSKARUKUSA-N
XLogP2.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine 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

Dibenzoxazepine
CID 3080684
3-Penten-2-one, 3-methyl-, O-methyloxime
CID 9601404
(E,3Z)-3-[(E)-3-fluoroprop-2-enylidene]-N-methoxy-2-methylidenecyclohexan-1-imine
CID 141853628
2-Cyclohexen-1-one, 3-methyl-, O-methyloxime
CID 9603094
N-methoxycyclohepta-3,5-dien-1-imine
CID 10011957
Carbonyl-(methoxyimino)benzene
CID 86164698
chloropalladium(1+);(NE)-N-(1-phenylethylidene)hydroxylamine
CID 134971514
chloromethane;palladium(2+);(NE)-N-(1-phenylethylidene)hydroxylamine
CID 134971535
[(6Z)-6-butylidenecyclohexa-2,4-dien-1-ylidene]-dioxidoazanium
CID 155936514
3-Hepten-2-one, O-methyloxime
CID 9601360
4-Hexen-3-one, O-methyloxime
CID 9601753
3-Methyl-2-cyclohexen-1-one O-methyl oxime
CID 586980

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine?
The IUPAC name of (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine (CID 89331310) is (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine.
What is the SMILES notation for (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine?
The canonical SMILES for (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine is CO/N=C(\C)C1=CCCC=C1.
What is the InChIKey of (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine?
The InChIKey is XJNRANQJZCGZLL-CSKARUKUSA-N. The full InChI is InChI=1S/C9H13NO/c1-8(10-11-2)9-6-4-3-5-7-9/h4,6-7H,3,5H2,1-2H3/b10-8+.
What are the key properties of (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine?
(E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine has a molecular weight of 151.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexa-1,5-dien-1-yl-N-methoxyethanimine is sourced from PubChem (CID 89331310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).