4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide

C11H19N3O2 — CID 146082370

IUPAC4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide
SMILESNC(=O)N1CCCC(N2CCCC2=O)CC1
InChIInChI=1S/C11H19N3O2/c12-11(16)13-6-1-3-9(5-8-13)14-7-2-4-10(14)15/h9H,1-8H2,(H2,12,16)
InChIKeyPUFPEMJXMVCYGA-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.54
Rot. Bonds1

About 4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide

4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide (PubChem CID 146082370) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide.

Molecular Properties

Compound Name4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide
PubChem CID146082370
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide
SMILESNC(=O)N1CCCC(N2CCCC2=O)CC1
InChIInChI=1S/C11H19N3O2/c12-11(16)13-6-1-3-9(5-8-13)14-7-2-4-10(14)15/h9H,1-8H2,(H2,12,16)
InChIKeyPUFPEMJXMVCYGA-UHFFFAOYSA-N
XLogP0.54
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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1-[1-(bicyclo[2.2.1]heptane-1-carbonyl)piperidin-4-yl]pyrrolidin-2-one
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(2,5-dihydroxypyrrol-1-yl) 4-(2-oxopyrrolidin-1-yl)piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide?
The IUPAC name of 4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide (CID 146082370) is 4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide.
What is the SMILES notation for 4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide?
The canonical SMILES for 4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide is NC(=O)N1CCCC(N2CCCC2=O)CC1.
What is the InChIKey of 4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide?
The InChIKey is PUFPEMJXMVCYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c12-11(16)13-6-1-3-9(5-8-13)14-7-2-4-10(14)15/h9H,1-8H2,(H2,12,16).
What are the key properties of 4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide?
4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide has a molecular weight of 225.29 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxopyrrolidin-1-yl)azepane-1-carboxamide is sourced from PubChem (CID 146082370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).