3-ethoxycyclohex-2-en-1-imine

C8H13NO — CID 144878389

IUPAC3-ethoxycyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(OCC)CCC1
InChIInChI=1S/C8H13NO/c1-2-10-8-5-3-4-7(9)6-8/h6,9H,2-5H2,1H3/b9-7+
InChIKeyZFJPBZFCYLXZRN-VQHVLOKHSA-N
MW139.20 g/mol
LogP2.11
Rot. Bonds2

About 3-ethoxycyclohex-2-en-1-imine

3-ethoxycyclohex-2-en-1-imine (PubChem CID 144878389) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-ethoxycyclohex-2-en-1-imine.

Molecular Properties

Compound Name3-ethoxycyclohex-2-en-1-imine
PubChem CID144878389
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-ethoxycyclohex-2-en-1-imine
SMILES[H]/N=C1/C=C(OCC)CCC1
InChIInChI=1S/C8H13NO/c1-2-10-8-5-3-4-7(9)6-8/h6,9H,2-5H2,1H3/b9-7+
InChIKeyZFJPBZFCYLXZRN-VQHVLOKHSA-N
XLogP2.11
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohexen-1-one, 3-ethoxy-, oxime
CID 5385164
(NZ)-N-(3-ethoxycyclohex-2-en-1-ylidene)hydroxylamine
CID 5793204
(NE)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine
CID 12244966
3-Ethoxy-5,5-dimethylcyclohex-2-en-1-imine
CID 3705223
(NZ)-N-(2-ethoxycyclohex-2-en-1-ylidene)hydroxylamine
CID 21490533
N-(3-ethoxycyclohex-2-en-1-ylidene)hydroxylamine
CID 343988
4-Diazo-3-ethoxycyclohex-2-en-1-imine
CID 57059126
4-Diazo-3-propoxycyclohex-2-en-1-imine
CID 57309972
N-(2-Ethoxycyclohex-2-en-1-ylidene)hydroxylamine
CID 71443251
3-(5-Iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine
CID 90773925
7-methyl-3,4-dihydro-2H-oxepin-5-imine
CID 90907504
3,5-Dimethoxycyclohex-2-en-1-imine
CID 91304520

Frequently Asked Questions

What is the IUPAC name of 3-ethoxycyclohex-2-en-1-imine?
The IUPAC name of 3-ethoxycyclohex-2-en-1-imine (CID 144878389) is 3-ethoxycyclohex-2-en-1-imine.
What is the SMILES notation for 3-ethoxycyclohex-2-en-1-imine?
The canonical SMILES for 3-ethoxycyclohex-2-en-1-imine is [H]/N=C1/C=C(OCC)CCC1.
What is the InChIKey of 3-ethoxycyclohex-2-en-1-imine?
The InChIKey is ZFJPBZFCYLXZRN-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-10-8-5-3-4-7(9)6-8/h6,9H,2-5H2,1H3/b9-7+.
What are the key properties of 3-ethoxycyclohex-2-en-1-imine?
3-ethoxycyclohex-2-en-1-imine has a molecular weight of 139.20 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycyclohex-2-en-1-imine is sourced from PubChem (CID 144878389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).