(E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine

C9H15NO — CID 142535271

IUPAC(E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine
SMILESCO/N=C(\C)C1CC=CCC1
InChIInChI=1S/C9H15NO/c1-8(10-11-2)9-6-4-3-5-7-9/h3-4,9H,5-7H2,1-2H3/b10-8+
InChIKeyZOCQABVZOVHFNM-CSKARUKUSA-N
MW153.22 g/mol
LogP2.37
Rot. Bonds2

About (E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine

(E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine (PubChem CID 142535271) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine.

Molecular Properties

Compound Name(E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine
PubChem CID142535271
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine
SMILESCO/N=C(\C)C1CC=CCC1
InChIInChI=1S/C9H15NO/c1-8(10-11-2)9-6-4-3-5-7-9/h3-4,9H,5-7H2,1-2H3/b10-8+
InChIKeyZOCQABVZOVHFNM-CSKARUKUSA-N
XLogP2.37
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1E)-2-Methyl-5-(1-methylethenyl)-2-cyclohexen-1-one oxime
CID 5380452
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, oxime
CID 97028
[S-(E)]-2-methyl-5-(1-methylvinyl)cyclohex-2-en-1-one oxime
CID 7166699
Carvone oxime
CID 5373978
(R)-(-)-2-Methyl-5-isopropenyl-2-cyclohexen-1-one oxime
CID 7166700
2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, O-methyloxime, (+)-
CID 9603082
4-cyclohex-3-en-1-yl-N-methoxybut-3-en-2-imine
CID 159158675
(NZ)-N-[(5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene]hydroxylamine
CID 7340252
N-(3-methylhept-5-en-2-ylidene)hydroxylamine
CID 170849932
(E)-(A+/-)-2-methyl-5-(1-methyl ethyl)-2-cyclohexene-1-one oxime
CID 7340253
(Z)-N-methoxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-imine
CID 5372406
2-Cyclohexen-1-one, 3,5-dimethyl-, O-methyloxime
CID 9602138

Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine?
The IUPAC name of (E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine (CID 142535271) is (E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine.
What is the SMILES notation for (E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine?
The canonical SMILES for (E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine is CO/N=C(\C)C1CC=CCC1.
What is the InChIKey of (E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine?
The InChIKey is ZOCQABVZOVHFNM-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15NO/c1-8(10-11-2)9-6-4-3-5-7-9/h3-4,9H,5-7H2,1-2H3/b10-8+.
What are the key properties of (E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine?
(E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine has a molecular weight of 153.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohex-3-en-1-yl-N-methoxyethanimine is sourced from PubChem (CID 142535271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).