N-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine

C10H16N2 — CID 171627138

IUPACN-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine
SMILESC=C/C=C(\N=C\C)C1CCNC1
InChIInChI=1S/C10H16N2/c1-3-5-10(12-4-2)9-6-7-11-8-9/h3-5,9,11H,1,6-8H2,2H3/b10-5-,12-4+
InChIKeyCQRLWHFIAQAKCX-LZCVDSOTSA-N
MW164.25 g/mol
LogP1.76
Rot. Bonds3

About N-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine

N-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine (PubChem CID 171627138) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine.

Molecular Properties

Compound NameN-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine
PubChem CID171627138
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine
SMILESC=C/C=C(\N=C\C)C1CCNC1
InChIInChI=1S/C10H16N2/c1-3-5-10(12-4-2)9-6-7-11-8-9/h3-5,9,11H,1,6-8H2,2H3/b10-5-,12-4+
InChIKeyCQRLWHFIAQAKCX-LZCVDSOTSA-N
XLogP1.76
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine 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-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine?
The IUPAC name of N-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine (CID 171627138) is N-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine.
What is the SMILES notation for N-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine?
The canonical SMILES for N-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine is C=C/C=C(\N=C\C)C1CCNC1.
What is the InChIKey of N-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine?
The InChIKey is CQRLWHFIAQAKCX-LZCVDSOTSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-5-10(12-4-2)9-6-7-11-8-9/h3-5,9,11H,1,6-8H2,2H3/b10-5-,12-4+.
What are the key properties of N-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine?
N-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine has a molecular weight of 164.25 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-pyrrolidin-3-ylbuta-1,3-dienyl]ethanimine is sourced from PubChem (CID 171627138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).