(E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide

C15H23NO — CID 21159859

IUPAC(E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide
SMILES[O-]/[N+](=C/C=C/C1=CCCCC1)C1CCCCC1
InChIInChI=1S/C15H23NO/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h7-8,10,13,15H,1-6,9,11-12H2/b10-7+,16-13+
InChIKeyHHRJZDXBWYFUJD-NJKRNUQASA-N
MW233.35 g/mol
LogP3.96
Rot. Bonds3

About (E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide

(E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide (PubChem CID 21159859) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide.

Molecular Properties

Compound Name(E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide
PubChem CID21159859
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide
SMILES[O-]/[N+](=C/C=C/C1=CCCCC1)C1CCCCC1
InChIInChI=1S/C15H23NO/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h7-8,10,13,15H,1-6,9,11-12H2/b10-7+,16-13+
InChIKeyHHRJZDXBWYFUJD-NJKRNUQASA-N
XLogP3.96
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide
CID 5364539
6,7,8,8a-Tetrahydroquinoline
CID 57281165
10-Oxido-1,2,3,4,4a,5,6,7-octahydroacridin-10-ium
CID 87120771
(2Z)-N-cyclohexyl-2-(2-methylcyclohex-2-en-1-ylidene)ethanimine oxide
CID 5370834
(2E)-N-cyclohexyl-2-(2-methylcyclohex-2-en-1-ylidene)ethanimine oxide
CID 21160446

Frequently Asked Questions

What is the IUPAC name of (E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide?
The IUPAC name of (E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide (CID 21159859) is (E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide.
What is the SMILES notation for (E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide?
The canonical SMILES for (E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide is [O-]/[N+](=C/C=C/C1=CCCCC1)C1CCCCC1.
What is the InChIKey of (E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide?
The InChIKey is HHRJZDXBWYFUJD-NJKRNUQASA-N. The full InChI is InChI=1S/C15H23NO/c17-16(15-11-5-2-6-12-15)13-7-10-14-8-3-1-4-9-14/h7-8,10,13,15H,1-6,9,11-12H2/b10-7+,16-13+.
What are the key properties of (E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide?
(E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide has a molecular weight of 233.35 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(cyclohexen-1-yl)-N-cyclohexylprop-2-en-1-imine oxide is sourced from PubChem (CID 21159859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).