3-(1-cyclohexylethenyl)pyrrolidine

C12H21N — CID 89257061

IUPAC3-(1-cyclohexylethenyl)pyrrolidine
SMILESC=C(C1CCCCC1)C1CCNC1
InChIInChI=1S/C12H21N/c1-10(12-7-8-13-9-12)11-5-3-2-4-6-11/h11-13H,1-9H2
InChIKeyFPUFWHITKJGTSA-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.73
Rot. Bonds2

About 3-(1-cyclohexylethenyl)pyrrolidine

3-(1-cyclohexylethenyl)pyrrolidine (PubChem CID 89257061) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 3-(1-cyclohexylethenyl)pyrrolidine.

Molecular Properties

Compound Name3-(1-cyclohexylethenyl)pyrrolidine
PubChem CID89257061
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name3-(1-cyclohexylethenyl)pyrrolidine
SMILESC=C(C1CCCCC1)C1CCNC1
InChIInChI=1S/C12H21N/c1-10(12-7-8-13-9-12)11-5-3-2-4-6-11/h11-13H,1-9H2
InChIKeyFPUFWHITKJGTSA-UHFFFAOYSA-N
XLogP2.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylethenyl)pyrrolidine?
The IUPAC name of 3-(1-cyclohexylethenyl)pyrrolidine (CID 89257061) is 3-(1-cyclohexylethenyl)pyrrolidine.
What is the SMILES notation for 3-(1-cyclohexylethenyl)pyrrolidine?
The canonical SMILES for 3-(1-cyclohexylethenyl)pyrrolidine is C=C(C1CCCCC1)C1CCNC1.
What is the InChIKey of 3-(1-cyclohexylethenyl)pyrrolidine?
The InChIKey is FPUFWHITKJGTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10(12-7-8-13-9-12)11-5-3-2-4-6-11/h11-13H,1-9H2.
What are the key properties of 3-(1-cyclohexylethenyl)pyrrolidine?
3-(1-cyclohexylethenyl)pyrrolidine has a molecular weight of 179.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylethenyl)pyrrolidine is sourced from PubChem (CID 89257061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).