2-(cyclohexen-1-yl)-2-ethylpyrrolidine

C12H21N — CID 106653516

IUPAC2-(cyclohexen-1-yl)-2-ethylpyrrolidine
SMILESCCC1(C2=CCCCC2)CCCN1
InChIInChI=1S/C12H21N/c1-2-12(9-6-10-13-12)11-7-4-3-5-8-11/h7,13H,2-6,8-10H2,1H3
InChIKeyPGQQHNGYKMIERU-UHFFFAOYSA-N
MW179.31 g/mol
LogP3.02
Rot. Bonds2

About 2-(cyclohexen-1-yl)-2-ethylpyrrolidine

2-(cyclohexen-1-yl)-2-ethylpyrrolidine (PubChem CID 106653516) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-2-ethylpyrrolidine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-2-ethylpyrrolidine
PubChem CID106653516
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name2-(cyclohexen-1-yl)-2-ethylpyrrolidine
SMILESCCC1(C2=CCCCC2)CCCN1
InChIInChI=1S/C12H21N/c1-2-12(9-6-10-13-12)11-7-4-3-5-8-11/h7,13H,2-6,8-10H2,1H3
InChIKeyPGQQHNGYKMIERU-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)-2-ethylpyrrolidine 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

2-(2,3-dihydrofuran-5-yl)-2-ethylpyrrolidine
CID 102651784
2-ethyl-2-(4-ethylphenyl)pyrrolidine
CID 66467145
(2R)-2-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid
CID 70543620
5-(2-ethylpyrrolidin-2-yl)pyrimidine
CID 66466456
calcium 5-(cyclohexen-1-yl)-5-ethyl-1,3-diazinane-2,4,6-trione
CID 23618796
2-ethyl-2-(4-ethylphenyl)azepane
CID 79116595
4-(2-ethylpyrrolidin-2-yl)-1-methylpyrazole
CID 66466689
5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102993872
4-(cyclohexen-1-yl)piperidine-4-carbonitrile
CID 116659296
4-(cyclohexen-1-yl)-3-ethylpiperidin-4-ol
CID 106651647
2-ethyl-2-(4-fluoro-3-methylphenyl)pyrrolidine
CID 66465325
2-(2-bromophenyl)-2-ethylazepane
CID 115059389

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-2-ethylpyrrolidine?
The IUPAC name of 2-(cyclohexen-1-yl)-2-ethylpyrrolidine (CID 106653516) is 2-(cyclohexen-1-yl)-2-ethylpyrrolidine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-2-ethylpyrrolidine?
The canonical SMILES for 2-(cyclohexen-1-yl)-2-ethylpyrrolidine is CCC1(C2=CCCCC2)CCCN1.
What is the InChIKey of 2-(cyclohexen-1-yl)-2-ethylpyrrolidine?
The InChIKey is PGQQHNGYKMIERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-2-12(9-6-10-13-12)11-7-4-3-5-8-11/h7,13H,2-6,8-10H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-2-ethylpyrrolidine?
2-(cyclohexen-1-yl)-2-ethylpyrrolidine has a molecular weight of 179.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-2-ethylpyrrolidine is sourced from PubChem (CID 106653516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).