N-cyclopentyl-7-oxoazepane-2-carboxamide

C12H20N2O2 — CID 110196326

IUPACN-cyclopentyl-7-oxoazepane-2-carboxamide
SMILESO=C1CCCCC(C(=O)NC2CCCC2)N1
InChIInChI=1S/C12H20N2O2/c15-11-8-4-3-7-10(14-11)12(16)13-9-5-1-2-6-9/h9-10H,1-8H2,(H,13,16)(H,14,15)
InChIKeyWBTKWLHXRGGEET-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.10
Rot. Bonds2

About N-cyclopentyl-7-oxoazepane-2-carboxamide

N-cyclopentyl-7-oxoazepane-2-carboxamide (PubChem CID 110196326) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-cyclopentyl-7-oxoazepane-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-7-oxoazepane-2-carboxamide
PubChem CID110196326
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-cyclopentyl-7-oxoazepane-2-carboxamide
SMILESO=C1CCCCC(C(=O)NC2CCCC2)N1
InChIInChI=1S/C12H20N2O2/c15-11-8-4-3-7-10(14-11)12(16)13-9-5-1-2-6-9/h9-10H,1-8H2,(H,13,16)(H,14,15)
InChIKeyWBTKWLHXRGGEET-UHFFFAOYSA-N
XLogP1.10
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-7-oxoazepane-2-carboxamide?
The IUPAC name of N-cyclopentyl-7-oxoazepane-2-carboxamide (CID 110196326) is N-cyclopentyl-7-oxoazepane-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-7-oxoazepane-2-carboxamide?
The canonical SMILES for N-cyclopentyl-7-oxoazepane-2-carboxamide is O=C1CCCCC(C(=O)NC2CCCC2)N1.
What is the InChIKey of N-cyclopentyl-7-oxoazepane-2-carboxamide?
The InChIKey is WBTKWLHXRGGEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c15-11-8-4-3-7-10(14-11)12(16)13-9-5-1-2-6-9/h9-10H,1-8H2,(H,13,16)(H,14,15).
What are the key properties of N-cyclopentyl-7-oxoazepane-2-carboxamide?
N-cyclopentyl-7-oxoazepane-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-7-oxoazepane-2-carboxamide is sourced from PubChem (CID 110196326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).