4-methoxycyclohex-3-ene-1,2-diimine

C7H10N2O — CID 145321311

IUPAC4-methoxycyclohex-3-ene-1,2-diimine
SMILES[H]/N=C1\C=C(OC)CC\C1=N/[H]
InChIInChI=1S/C7H10N2O/c1-10-5-2-3-6(8)7(9)4-5/h4,8-9H,2-3H2,1H3/b8-6+,9-7+
InChIKeyFAQXISAFCUPZQR-CDJQDVQCSA-N
MW138.17 g/mol
LogP1.35
Rot. Bonds1

About 4-methoxycyclohex-3-ene-1,2-diimine

4-methoxycyclohex-3-ene-1,2-diimine (PubChem CID 145321311) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-methoxycyclohex-3-ene-1,2-diimine.

Molecular Properties

Compound Name4-methoxycyclohex-3-ene-1,2-diimine
PubChem CID145321311
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name4-methoxycyclohex-3-ene-1,2-diimine
SMILES[H]/N=C1\C=C(OC)CC\C1=N/[H]
InChIInChI=1S/C7H10N2O/c1-10-5-2-3-6(8)7(9)4-5/h4,8-9H,2-3H2,1H3/b8-6+,9-7+
InChIKeyFAQXISAFCUPZQR-CDJQDVQCSA-N
XLogP1.35
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-(3-methoxycyclohex-2-en-1-ylidene)hydroxylamine
CID 12641270
4-Diazo-3-ethoxycyclohex-2-en-1-imine
CID 57059126
4-Diazo-3-propoxycyclohex-2-en-1-imine
CID 57309972
N-(3-methoxycyclohex-2-en-1-ylidene)hydroxylamine
CID 88661324
(Z)-5-methoxyhex-4-en-3-imine
CID 90392307
3-(5-Iminocyclohexen-1-yl)oxycyclohex-3-en-1-imine
CID 90773925
7-methyl-3,4-dihydro-2H-oxepin-5-imine
CID 90907504
2-Imino-4-methoxycyclohex-3-en-1-amine
CID 91107376
4-Diazo-3-methoxycyclohex-2-en-1-imine
CID 91282468
3,5-Dimethoxycyclohex-2-en-1-imine
CID 91304520
(E)-5-methoxyhex-4-en-3-imine
CID 123206559
1-(4-Methoxycyclohexa-1,3-dien-1-yl)ethanimine
CID 123212202

Frequently Asked Questions

What is the IUPAC name of 4-methoxycyclohex-3-ene-1,2-diimine?
The IUPAC name of 4-methoxycyclohex-3-ene-1,2-diimine (CID 145321311) is 4-methoxycyclohex-3-ene-1,2-diimine.
What is the SMILES notation for 4-methoxycyclohex-3-ene-1,2-diimine?
The canonical SMILES for 4-methoxycyclohex-3-ene-1,2-diimine is [H]/N=C1\C=C(OC)CC\C1=N/[H].
What is the InChIKey of 4-methoxycyclohex-3-ene-1,2-diimine?
The InChIKey is FAQXISAFCUPZQR-CDJQDVQCSA-N. The full InChI is InChI=1S/C7H10N2O/c1-10-5-2-3-6(8)7(9)4-5/h4,8-9H,2-3H2,1H3/b8-6+,9-7+.
What are the key properties of 4-methoxycyclohex-3-ene-1,2-diimine?
4-methoxycyclohex-3-ene-1,2-diimine has a molecular weight of 138.17 g/mol, XLogP of 1.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycyclohex-3-ene-1,2-diimine is sourced from PubChem (CID 145321311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).