1-(6-chlorocyclohexen-1-yl)pyrrolidine

C10H16ClN — CID 11084559

IUPAC1-(6-chlorocyclohexen-1-yl)pyrrolidine
SMILESClC1CCCC=C1N1CCCC1
InChIInChI=1S/C10H16ClN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h6,9H,1-5,7-8H2
InChIKeyHNGGUNHXNKZMDD-UHFFFAOYSA-N
MW185.70 g/mol
LogP2.76
Rot. Bonds1

About 1-(6-chlorocyclohexen-1-yl)pyrrolidine

1-(6-chlorocyclohexen-1-yl)pyrrolidine (PubChem CID 11084559) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is 1-(6-chlorocyclohexen-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(6-chlorocyclohexen-1-yl)pyrrolidine
PubChem CID11084559
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name1-(6-chlorocyclohexen-1-yl)pyrrolidine
SMILESClC1CCCC=C1N1CCCC1
InChIInChI=1S/C10H16ClN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h6,9H,1-5,7-8H2
InChIKeyHNGGUNHXNKZMDD-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[1-Chloro-3-(cyclohexen-1-yl)propan-2-yl]pyrrolidine
CID 70484399
10-Chloro-2,3,4,6,7,8,9,10-octahydropyrido[1,2-a]azepine
CID 142640431
1-(6-Chlorocyclohexen-1-yl)piperidine
CID 12512496
6-chloro-N,N-dimethylcyclohexen-1-amine
CID 21720673
1-(6-Chloro-4-methylcyclohexen-1-yl)pyrrolidine
CID 101694939

Frequently Asked Questions

What is the IUPAC name of 1-(6-chlorocyclohexen-1-yl)pyrrolidine?
The IUPAC name of 1-(6-chlorocyclohexen-1-yl)pyrrolidine (CID 11084559) is 1-(6-chlorocyclohexen-1-yl)pyrrolidine.
What is the SMILES notation for 1-(6-chlorocyclohexen-1-yl)pyrrolidine?
The canonical SMILES for 1-(6-chlorocyclohexen-1-yl)pyrrolidine is ClC1CCCC=C1N1CCCC1.
What is the InChIKey of 1-(6-chlorocyclohexen-1-yl)pyrrolidine?
The InChIKey is HNGGUNHXNKZMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h6,9H,1-5,7-8H2.
What are the key properties of 1-(6-chlorocyclohexen-1-yl)pyrrolidine?
1-(6-chlorocyclohexen-1-yl)pyrrolidine has a molecular weight of 185.70 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chlorocyclohexen-1-yl)pyrrolidine is sourced from PubChem (CID 11084559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).