(2E)-N-methyl-2-propylidenepyrrolidin-3-imine

C8H14N2 — CID 176938440

IUPAC(2E)-N-methyl-2-propylidenepyrrolidin-3-imine
SMILESCC/C=C1/NCC/C1=N\C
InChIInChI=1S/C8H14N2/c1-3-4-8-7(9-2)5-6-10-8/h4,10H,3,5-6H2,1-2H3/b8-4+,9-7+
InChIKeyKSUOFVDUZAPLMX-QDJBHUIFSA-N
MW138.21 g/mol
LogP1.34
Rot. Bonds1

About (2E)-N-methyl-2-propylidenepyrrolidin-3-imine

(2E)-N-methyl-2-propylidenepyrrolidin-3-imine (PubChem CID 176938440) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (2E)-N-methyl-2-propylidenepyrrolidin-3-imine.

Molecular Properties

Compound Name(2E)-N-methyl-2-propylidenepyrrolidin-3-imine
PubChem CID176938440
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(2E)-N-methyl-2-propylidenepyrrolidin-3-imine
SMILESCC/C=C1/NCC/C1=N\C
InChIInChI=1S/C8H14N2/c1-3-4-8-7(9-2)5-6-10-8/h4,10H,3,5-6H2,1-2H3/b8-4+,9-7+
InChIKeyKSUOFVDUZAPLMX-QDJBHUIFSA-N
XLogP1.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E)-N-methyl-2-propylidenepyrrolidin-3-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 (2E)-N-methyl-2-propylidenepyrrolidin-3-imine?
The IUPAC name of (2E)-N-methyl-2-propylidenepyrrolidin-3-imine (CID 176938440) is (2E)-N-methyl-2-propylidenepyrrolidin-3-imine.
What is the SMILES notation for (2E)-N-methyl-2-propylidenepyrrolidin-3-imine?
The canonical SMILES for (2E)-N-methyl-2-propylidenepyrrolidin-3-imine is CC/C=C1/NCC/C1=N\C.
What is the InChIKey of (2E)-N-methyl-2-propylidenepyrrolidin-3-imine?
The InChIKey is KSUOFVDUZAPLMX-QDJBHUIFSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-4-8-7(9-2)5-6-10-8/h4,10H,3,5-6H2,1-2H3/b8-4+,9-7+.
What are the key properties of (2E)-N-methyl-2-propylidenepyrrolidin-3-imine?
(2E)-N-methyl-2-propylidenepyrrolidin-3-imine has a molecular weight of 138.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-methyl-2-propylidenepyrrolidin-3-imine is sourced from PubChem (CID 176938440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).