1-cyclooctylpyrrolidine

C12H23N — CID 23277874

IUPAC1-cyclooctylpyrrolidine
SMILESC1CCCC(N2CCCC2)CCC1
InChIInChI=1S/C12H23N/c1-2-4-8-12(9-5-3-1)13-10-6-7-11-13/h12H,1-11H2
InChIKeyBSSACIAVNSQTOE-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.20
Rot. Bonds1

About 1-cyclooctylpyrrolidine

1-cyclooctylpyrrolidine (PubChem CID 23277874) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 1-cyclooctylpyrrolidine.

Molecular Properties

Compound Name1-cyclooctylpyrrolidine
PubChem CID23277874
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name1-cyclooctylpyrrolidine
SMILESC1CCCC(N2CCCC2)CCC1
InChIInChI=1S/C12H23N/c1-2-4-8-12(9-5-3-1)13-10-6-7-11-13/h12H,1-11H2
InChIKeyBSSACIAVNSQTOE-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-cyclooctylpyrrolidine 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-cyclohexylazocane
CID 23151203
1-cyclooctylpiperidine
CID 89210756
1-cyclohexylpiperidine;methane
CID 143122486
1-cyclopropylpiperidine
CID 10909573
butane;bis(1-cyclohexylpyrrolidine);dihydrate
CID 175247747
1-cyclohexylazetidine;2-methylpropane
CID 178017193
CID 175727151
CID 175727151
5-cyclononyl-1,5-oxazonane
CID 154308652
1-azabicyclo[9.1.0]dodecane
CID 87228787
2-cyclobutyl-3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepine
CID 79926329
1-(1-cyclopentylpiperidin-4-yl)azepane;oxalic acid
CID 17369286
1-methanidyl-4-piperidin-1-ylpiperidine
CID 20723188

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctylpyrrolidine?
The IUPAC name of 1-cyclooctylpyrrolidine (CID 23277874) is 1-cyclooctylpyrrolidine.
What is the SMILES notation for 1-cyclooctylpyrrolidine?
The canonical SMILES for 1-cyclooctylpyrrolidine is C1CCCC(N2CCCC2)CCC1.
What is the InChIKey of 1-cyclooctylpyrrolidine?
The InChIKey is BSSACIAVNSQTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-2-4-8-12(9-5-3-1)13-10-6-7-11-13/h12H,1-11H2.
What are the key properties of 1-cyclooctylpyrrolidine?
1-cyclooctylpyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctylpyrrolidine is sourced from PubChem (CID 23277874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).