2-methoxycyclohex-2-en-1-imine

C7H11NO — CID 123417114

IUPAC2-methoxycyclohex-2-en-1-imine
SMILES[H]/N=C1\CCCC=C1OC
InChIInChI=1S/C7H11NO/c1-9-7-5-3-2-4-6(7)8/h5,8H,2-4H2,1H3/b8-6+
InChIKeyHJOOGGIWNWNTKT-SOFGYWHQSA-N
MW125.17 g/mol
LogP1.72
Rot. Bonds1

About 2-methoxycyclohex-2-en-1-imine

2-methoxycyclohex-2-en-1-imine (PubChem CID 123417114) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-methoxycyclohex-2-en-1-imine.

Molecular Properties

Compound Name2-methoxycyclohex-2-en-1-imine
PubChem CID123417114
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-methoxycyclohex-2-en-1-imine
SMILES[H]/N=C1\CCCC=C1OC
InChIInChI=1S/C7H11NO/c1-9-7-5-3-2-4-6(7)8/h5,8H,2-4H2,1H3/b8-6+
InChIKeyHJOOGGIWNWNTKT-SOFGYWHQSA-N
XLogP1.72
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxycyclohex-2-en-1-imine?
The IUPAC name of 2-methoxycyclohex-2-en-1-imine (CID 123417114) is 2-methoxycyclohex-2-en-1-imine.
What is the SMILES notation for 2-methoxycyclohex-2-en-1-imine?
The canonical SMILES for 2-methoxycyclohex-2-en-1-imine is [H]/N=C1\CCCC=C1OC.
What is the InChIKey of 2-methoxycyclohex-2-en-1-imine?
The InChIKey is HJOOGGIWNWNTKT-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11NO/c1-9-7-5-3-2-4-6(7)8/h5,8H,2-4H2,1H3/b8-6+.
What are the key properties of 2-methoxycyclohex-2-en-1-imine?
2-methoxycyclohex-2-en-1-imine has a molecular weight of 125.17 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycyclohex-2-en-1-imine is sourced from PubChem (CID 123417114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).