N-prop-2-enylcyclopropanimine

C6H9N — CID 149331722

IUPACN-prop-2-enylcyclopropanimine
SMILESC=CCN=C1CC1
InChIInChI=1S/C6H9N/c1-2-5-7-6-3-4-6/h2H,1,3-5H2
InChIKeyYCLCKQCDFNTFJG-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.41
Rot. Bonds2

About N-prop-2-enylcyclopropanimine

N-prop-2-enylcyclopropanimine (PubChem CID 149331722) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is N-prop-2-enylcyclopropanimine.

Molecular Properties

Compound NameN-prop-2-enylcyclopropanimine
PubChem CID149331722
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC NameN-prop-2-enylcyclopropanimine
SMILESC=CCN=C1CC1
InChIInChI=1S/C6H9N/c1-2-5-7-6-3-4-6/h2H,1,3-5H2
InChIKeyYCLCKQCDFNTFJG-UHFFFAOYSA-N
XLogP1.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-prop-2-enylcyclopropanimine 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 N-prop-2-enylcyclopropanimine?
The IUPAC name of N-prop-2-enylcyclopropanimine (CID 149331722) is N-prop-2-enylcyclopropanimine.
What is the SMILES notation for N-prop-2-enylcyclopropanimine?
The canonical SMILES for N-prop-2-enylcyclopropanimine is C=CCN=C1CC1.
What is the InChIKey of N-prop-2-enylcyclopropanimine?
The InChIKey is YCLCKQCDFNTFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-5-7-6-3-4-6/h2H,1,3-5H2.
What are the key properties of N-prop-2-enylcyclopropanimine?
N-prop-2-enylcyclopropanimine has a molecular weight of 95.14 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylcyclopropanimine is sourced from PubChem (CID 149331722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).