4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one

C17H28N2O2 — CID 17257422

IUPAC4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCCC2)C1)N1CCCCCC1
InChIInChI=1S/C17H28N2O2/c20-16-12-14(13-19(16)15-8-4-3-5-9-15)17(21)18-10-6-1-2-7-11-18/h14-15H,1-13H2
InChIKeyJZBDUIVRXUCYMV-UHFFFAOYSA-N
MW292.42 g/mol
LogP2.57
Rot. Bonds2

About 4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one

4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one (PubChem CID 17257422) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one
PubChem CID17257422
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(C2CCCCC2)C1)N1CCCCCC1
InChIInChI=1S/C17H28N2O2/c20-16-12-14(13-19(16)15-8-4-3-5-9-15)17(21)18-10-6-1-2-7-11-18/h14-15H,1-13H2
InChIKeyJZBDUIVRXUCYMV-UHFFFAOYSA-N
XLogP2.57
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one?
The IUPAC name of 4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one (CID 17257422) is 4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one.
What is the SMILES notation for 4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one?
The canonical SMILES for 4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one is O=C(C1CC(=O)N(C2CCCCC2)C1)N1CCCCCC1.
What is the InChIKey of 4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one?
The InChIKey is JZBDUIVRXUCYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c20-16-12-14(13-19(16)15-8-4-3-5-9-15)17(21)18-10-6-1-2-7-11-18/h14-15H,1-13H2.
What are the key properties of 4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one?
4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one has a molecular weight of 292.42 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one is sourced from PubChem (CID 17257422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).