1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one

C17H30N2O2 — CID 10085837

IUPAC1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one
SMILESCCCCCCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C17H30N2O2/c1-2-3-4-5-6-11-16(20)19-14-9-10-15(19)17(21)18-12-7-8-13-18/h15H,2-14H2,1H3/t15-/m0/s1
InChIKeyFNZKDUXXKIFDBI-HNNXBMFYSA-N
MW294.44 g/mol
LogP2.96
Rot. Bonds7

About 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one

1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one (PubChem CID 10085837) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one.

Molecular Properties

Compound Name1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one
PubChem CID10085837
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one
SMILESCCCCCCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1
InChIInChI=1S/C17H30N2O2/c1-2-3-4-5-6-11-16(20)19-14-9-10-15(19)17(21)18-12-7-8-13-18/h15H,2-14H2,1H3/t15-/m0/s1
InChIKeyFNZKDUXXKIFDBI-HNNXBMFYSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one?
The IUPAC name of 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one (CID 10085837) is 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one.
What is the SMILES notation for 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one?
The canonical SMILES for 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one is CCCCCCCC(=O)N1CCC[C@H]1C(=O)N1CCCC1.
What is the InChIKey of 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one?
The InChIKey is FNZKDUXXKIFDBI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-2-3-4-5-6-11-16(20)19-14-9-10-15(19)17(21)18-12-7-8-13-18/h15H,2-14H2,1H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one?
1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one has a molecular weight of 294.44 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one is sourced from PubChem (CID 10085837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).