1-[(1-chlorocyclohexyl)methyl]pyrrolidine

C11H20ClN — CID 121219276

IUPAC1-[(1-chlorocyclohexyl)methyl]pyrrolidine
SMILESClC1(CN2CCCC2)CCCCC1
InChIInChI=1S/C11H20ClN/c12-11(6-2-1-3-7-11)10-13-8-4-5-9-13/h1-10H2
InChIKeyXRTYGNCFQYREIX-UHFFFAOYSA-N
MW201.74 g/mol
LogP3.02
Rot. Bonds2

About 1-[(1-chlorocyclohexyl)methyl]pyrrolidine

1-[(1-chlorocyclohexyl)methyl]pyrrolidine (PubChem CID 121219276) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is 1-[(1-chlorocyclohexyl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(1-chlorocyclohexyl)methyl]pyrrolidine
PubChem CID121219276
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name1-[(1-chlorocyclohexyl)methyl]pyrrolidine
SMILESClC1(CN2CCCC2)CCCCC1
InChIInChI=1S/C11H20ClN/c12-11(6-2-1-3-7-11)10-13-8-4-5-9-13/h1-10H2
InChIKeyXRTYGNCFQYREIX-UHFFFAOYSA-N
XLogP3.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(1-chlorocyclohexyl)methyl]pyrrolidine 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-(azepan-1-ylmethyl)cyclohexyl]methanol
CID 62270892
1-(azetidin-1-ylmethyl)cyclohexan-1-ol
CID 84731810
[1-(pyrrolidin-1-ylmethyl)cyclopentyl]methanamine
CID 62261664
1-[(1,3-dimethylazetidin-3-yl)methyl]piperidine
CID 166536995
1-[[1-(bromomethyl)cyclopropyl]methyl]azepane
CID 65013717
[1-(azepan-1-ylmethyl)cyclobutyl]methanamine
CID 82171578
3-(azocan-1-ylmethyl)pyrrolidin-3-ol
CID 84679274
(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-3-ol
CID 129407519
1-[[1-[(2-methylpropan-2-yl)oxy]cyclohexyl]methyl]pyrrolidine
CID 155794361
[1-(azetidin-1-ylmethyl)cyclopentyl]methanethiol
CID 130548652
1-[[1-(bromomethyl)cyclopentyl]methyl]azetidine
CID 130548196
1-(piperidin-1-ylmethyl)cyclopropane-1-carbothioamide
CID 82112272

Frequently Asked Questions

What is the IUPAC name of 1-[(1-chlorocyclohexyl)methyl]pyrrolidine?
The IUPAC name of 1-[(1-chlorocyclohexyl)methyl]pyrrolidine (CID 121219276) is 1-[(1-chlorocyclohexyl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(1-chlorocyclohexyl)methyl]pyrrolidine?
The canonical SMILES for 1-[(1-chlorocyclohexyl)methyl]pyrrolidine is ClC1(CN2CCCC2)CCCCC1.
What is the InChIKey of 1-[(1-chlorocyclohexyl)methyl]pyrrolidine?
The InChIKey is XRTYGNCFQYREIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN/c12-11(6-2-1-3-7-11)10-13-8-4-5-9-13/h1-10H2.
What are the key properties of 1-[(1-chlorocyclohexyl)methyl]pyrrolidine?
1-[(1-chlorocyclohexyl)methyl]pyrrolidine has a molecular weight of 201.74 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-chlorocyclohexyl)methyl]pyrrolidine is sourced from PubChem (CID 121219276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).