(Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine

C12H21ClN2 — CID 118650387

IUPAC(Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine
SMILESCCCCC/N=C/C(Cl)=C/N1CCCC1
InChIInChI=1S/C12H21ClN2/c1-2-3-4-7-14-10-12(13)11-15-8-5-6-9-15/h10-11H,2-9H2,1H3/b12-11-,14-10+
InChIKeyHQHIKKYKWRZMOA-QOBSPMRMSA-N
MW228.77 g/mol
LogP3.42
Rot. Bonds6

About (Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine

(Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine (PubChem CID 118650387) has the molecular formula C12H21ClN2 and a molecular weight of 228.77 g/mol. Its IUPAC name is (Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine
PubChem CID118650387
Molecular FormulaC12H21ClN2
Molecular Weight228.77 g/mol
Exact Mass228.14
IUPAC Name(Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine
SMILESCCCCC/N=C/C(Cl)=C/N1CCCC1
InChIInChI=1S/C12H21ClN2/c1-2-3-4-7-14-10-12(13)11-15-8-5-6-9-15/h10-11H,2-9H2,1H3/b12-11-,14-10+
InChIKeyHQHIKKYKWRZMOA-QOBSPMRMSA-N
XLogP3.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.77
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-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

Related Compounds

1-[(Z)-2-chloro-3-pyrrolidin-1-ium-1-ylideneprop-1-enyl]pyrrolidine
CID 89025787
1-(2-Chloro-3-pyrrolidin-1-ium-1-ylideneprop-1-enyl)pyrrolidine
CID 91210360
(Z)-2-chloro-N,N-di(propan-2-yl)-3-pyrrolidin-1-ium-1-ylideneprop-1-en-1-amine
CID 11338247

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine?
The IUPAC name of (Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine (CID 118650387) is (Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine.
What is the SMILES notation for (Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine?
The canonical SMILES for (Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine is CCCCC/N=C/C(Cl)=C/N1CCCC1.
What is the InChIKey of (Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine?
The InChIKey is HQHIKKYKWRZMOA-QOBSPMRMSA-N. The full InChI is InChI=1S/C12H21ClN2/c1-2-3-4-7-14-10-12(13)11-15-8-5-6-9-15/h10-11H,2-9H2,1H3/b12-11-,14-10+.
What are the key properties of (Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine?
(Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine has a molecular weight of 228.77 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-N-pentyl-3-pyrrolidin-1-ylprop-2-en-1-imine is sourced from PubChem (CID 118650387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).