3-methoxycyclopent-2-en-1-imine

C6H9NO — CID 167062164

IUPAC3-methoxycyclopent-2-en-1-imine
SMILES[H]/N=C1/C=C(OC)CC1
InChIInChI=1S/C6H9NO/c1-8-6-3-2-5(7)4-6/h4,7H,2-3H2,1H3/b7-5+
InChIKeyIDEORTWFBBFOOY-FNORWQNLSA-N
MW111.14 g/mol
LogP1.33
Rot. Bonds1

About 3-methoxycyclopent-2-en-1-imine

3-methoxycyclopent-2-en-1-imine (PubChem CID 167062164) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 3-methoxycyclopent-2-en-1-imine.

Molecular Properties

Compound Name3-methoxycyclopent-2-en-1-imine
PubChem CID167062164
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name3-methoxycyclopent-2-en-1-imine
SMILES[H]/N=C1/C=C(OC)CC1
InChIInChI=1S/C6H9NO/c1-8-6-3-2-5(7)4-6/h4,7H,2-3H2,1H3/b7-5+
InChIKeyIDEORTWFBBFOOY-FNORWQNLSA-N
XLogP1.33
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methoxycyclopent-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxycyclopent-2-en-1-imine?
The IUPAC name of 3-methoxycyclopent-2-en-1-imine (CID 167062164) is 3-methoxycyclopent-2-en-1-imine.
What is the SMILES notation for 3-methoxycyclopent-2-en-1-imine?
The canonical SMILES for 3-methoxycyclopent-2-en-1-imine is [H]/N=C1/C=C(OC)CC1.
What is the InChIKey of 3-methoxycyclopent-2-en-1-imine?
The InChIKey is IDEORTWFBBFOOY-FNORWQNLSA-N. The full InChI is InChI=1S/C6H9NO/c1-8-6-3-2-5(7)4-6/h4,7H,2-3H2,1H3/b7-5+.
What are the key properties of 3-methoxycyclopent-2-en-1-imine?
3-methoxycyclopent-2-en-1-imine has a molecular weight of 111.14 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycyclopent-2-en-1-imine is sourced from PubChem (CID 167062164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).