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

C18H24N2O2 — CID 110387635

IUPAC5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1Cc1ccccc1)N1CCCCCC1
InChIInChI=1S/C18H24N2O2/c21-17-11-10-16(18(22)19-12-6-1-2-7-13-19)20(17)14-15-8-4-3-5-9-15/h3-5,8-9,16H,1-2,6-7,10-14H2
InChIKeyYAJBIERHDPTNLX-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.58
Rot. Bonds3

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

5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one (PubChem CID 110387635) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
PubChem CID110387635
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one
SMILESO=C(C1CCC(=O)N1Cc1ccccc1)N1CCCCCC1
InChIInChI=1S/C18H24N2O2/c21-17-11-10-16(18(22)19-12-6-1-2-7-13-19)20(17)14-15-8-4-3-5-9-15/h3-5,8-9,16H,1-2,6-7,10-14H2
InChIKeyYAJBIERHDPTNLX-UHFFFAOYSA-N
XLogP2.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-1-benzyl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90675575
1-benzyl-5-[4-(3-chlorophenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110387617
1-benzyl-5-(2-methylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110631322
1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 91955823
1-benzyl-5-(2-phenylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110629818
(3R)-1-[(2R)-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 124697321
Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate
CID 15337768
5-(azepane-1-carbonyl)-1-phenylpyrrolidin-2-one
CID 110416840
1-[(2-chlorophenyl)methyl]-5-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 139023933
(5R)-1-[(4-chlorophenyl)methyl]-5-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 100815989
(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
(6S)-1-benzyl-6-propanoylpiperidin-2-one
CID 134835246

Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one?
The IUPAC name of 5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one (CID 110387635) is 5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one.
What is the SMILES notation for 5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one?
The canonical SMILES for 5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one is O=C(C1CCC(=O)N1Cc1ccccc1)N1CCCCCC1.
What is the InChIKey of 5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one?
The InChIKey is YAJBIERHDPTNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17-11-10-16(18(22)19-12-6-1-2-7-13-19)20(17)14-15-8-4-3-5-9-15/h3-5,8-9,16H,1-2,6-7,10-14H2.
What are the key properties of 5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one?
5-(azepane-1-carbonyl)-1-benzylpyrrolidin-2-one has a molecular weight of 300.40 g/mol, XLogP of 2.58, 3 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-benzylpyrrolidin-2-one is sourced from PubChem (CID 110387635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).