5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one

C17H22N2O2 — CID 110416840

IUPAC5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1c1ccccc1)N1CCCCCC1
InChIInChI=1S/C17H22N2O2/c20-16-11-10-15(19(16)14-8-4-3-5-9-14)17(21)18-12-6-1-2-7-13-18/h3-5,8-9,15H,1-2,6-7,10-13H2
InChIKeyQOEDITDBYFVSNU-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.58
Rot. Bonds2

About 5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one

5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one (PubChem CID 110416840) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one
PubChem CID110416840
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1c1ccccc1)N1CCCCCC1
InChIInChI=1S/C17H22N2O2/c20-16-11-10-15(19(16)14-8-4-3-5-9-14)17(21)18-12-6-1-2-7-13-18/h3-5,8-9,15H,1-2,6-7,10-13H2
InChIKeyQOEDITDBYFVSNU-UHFFFAOYSA-N
XLogP2.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110412075
1-(4-methylphenyl)-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373773
5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110414262
5-[3-(ethoxymethyl)piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110610314
(2S)-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 134861017
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
CID 110387635
1-phenyl-5-[4-(thiophen-2-ylmethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 110628433
CID 11716839
CID 11716839
1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 110374168
N-(1H-indol-2-ylmethyl)-1-(5-oxo-1-phenylpyrrolidine-2-carbonyl)pyrrolidine-3-carboxamide
CID 172898736
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 110607801
1-(4-methylphenyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 110373788

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one?
The IUPAC name of 5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one (CID 110416840) is 5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one?
The canonical SMILES for 5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one is O=C(C1CCC(=O)N1c1ccccc1)N1CCCCCC1.
What is the InChIKey of 5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one?
The InChIKey is QOEDITDBYFVSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-16-11-10-15(19(16)14-8-4-3-5-9-14)17(21)18-12-6-1-2-7-13-18/h3-5,8-9,15H,1-2,6-7,10-13H2.
What are the key properties of 5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one?
5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one has a molecular weight of 286.37 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 110416840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).