1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone

C13H24N2O — CID 61372180

IUPAC1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)N1CCCCCCC1
InChIInChI=1S/C13H24N2O/c16-13(11-12-7-6-8-14-12)15-9-4-2-1-3-5-10-15/h12,14H,1-11H2
InChIKeyHKDYTSABVWZNEB-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.92
Rot. Bonds2

About 1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone

1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone (PubChem CID 61372180) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
PubChem CID61372180
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)N1CCCCCCC1
InChIInChI=1S/C13H24N2O/c16-13(11-12-7-6-8-14-12)15-9-4-2-1-3-5-10-15/h12,14H,1-11H2
InChIKeyHKDYTSABVWZNEB-UHFFFAOYSA-N
XLogP1.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone 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-[(2S)-piperidin-2-yl]-1-pyrrolidin-1-ylethanone
CID 29083930
1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119834001
2-pyrrolidin-2-yl-1-thiomorpholin-4-ylethanone;hydrochloride
CID 119705182
1-(4-cyclobutylpiperazin-1-yl)-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119887210
N-cyclohexyl-4-(2-pyrrolidin-2-ylacetyl)piperazine-1-carboxamide
CID 119727444
N-[3-(azepan-1-yl)-3-oxopropyl]-2-pyrrolidin-2-ylacetamide
CID 119761927
1-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone
CID 119733147
4-(2-pyrrolidin-2-ylacetyl)piperazine-1-sulfonamide;hydrochloride
CID 119701502
1-(4-propylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone
CID 62205259
2,2-dimethyl-1-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119708849
1-(4-ethenylpiperidin-1-yl)-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119783256
1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-pyrrolidin-2-ylethanone;hydrochloride
CID 119738163

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone (CID 61372180) is 1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone is O=C(CC1CCCN1)N1CCCCCCC1.
What is the InChIKey of 1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone?
The InChIKey is HKDYTSABVWZNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c16-13(11-12-7-6-8-14-12)15-9-4-2-1-3-5-10-15/h12,14H,1-11H2.
What are the key properties of 1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone?
1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone has a molecular weight of 224.35 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2-pyrrolidin-2-ylethanone is sourced from PubChem (CID 61372180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).