N-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine

C9H14N2 — CID 142497989

IUPACN-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine
SMILESC=C/C=N/C(=C)C1CCCN1
InChIInChI=1S/C9H14N2/c1-3-6-10-8(2)9-5-4-7-11-9/h3,6,9,11H,1-2,4-5,7H2/b10-6+
InChIKeyNANMCMILTCXDTK-UXBLZVDNSA-N
MW150.22 g/mol
LogP1.51
Rot. Bonds3

About N-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine

N-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine (PubChem CID 142497989) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is N-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine
PubChem CID142497989
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC NameN-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine
SMILESC=C/C=N/C(=C)C1CCCN1
InChIInChI=1S/C9H14N2/c1-3-6-10-8(2)9-5-4-7-11-9/h3,6,9,11H,1-2,4-5,7H2/b10-6+
InChIKeyNANMCMILTCXDTK-UXBLZVDNSA-N
XLogP1.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-pyrrolidin-2-ylethenyl)prop-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 N-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine?
The IUPAC name of N-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine (CID 142497989) is N-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine.
What is the SMILES notation for N-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine?
The canonical SMILES for N-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine is C=C/C=N/C(=C)C1CCCN1.
What is the InChIKey of N-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine?
The InChIKey is NANMCMILTCXDTK-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-6-10-8(2)9-5-4-7-11-9/h3,6,9,11H,1-2,4-5,7H2/b10-6+.
What are the key properties of N-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine?
N-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine has a molecular weight of 150.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrrolidin-2-ylethenyl)prop-2-en-1-imine is sourced from PubChem (CID 142497989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).