N-(2-oxopropyl)azepane-1-carboxamide

C10H18N2O2 — CID 79152815

IUPACN-(2-oxopropyl)azepane-1-carboxamide
SMILESCC(=O)CNC(=O)N1CCCCCC1
InChIInChI=1S/C10H18N2O2/c1-9(13)8-11-10(14)12-6-4-2-3-5-7-12/h2-8H2,1H3,(H,11,14)
InChIKeyNWCWWKHXMAWZFC-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.16
Rot. Bonds2

About N-(2-oxopropyl)azepane-1-carboxamide

N-(2-oxopropyl)azepane-1-carboxamide (PubChem CID 79152815) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(2-oxopropyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-oxopropyl)azepane-1-carboxamide
PubChem CID79152815
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-(2-oxopropyl)azepane-1-carboxamide
SMILESCC(=O)CNC(=O)N1CCCCCC1
InChIInChI=1S/C10H18N2O2/c1-9(13)8-11-10(14)12-6-4-2-3-5-7-12/h2-8H2,1H3,(H,11,14)
InChIKeyNWCWWKHXMAWZFC-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxopropyl)azepane-1-carboxamide?
The IUPAC name of N-(2-oxopropyl)azepane-1-carboxamide (CID 79152815) is N-(2-oxopropyl)azepane-1-carboxamide.
What is the SMILES notation for N-(2-oxopropyl)azepane-1-carboxamide?
The canonical SMILES for N-(2-oxopropyl)azepane-1-carboxamide is CC(=O)CNC(=O)N1CCCCCC1.
What is the InChIKey of N-(2-oxopropyl)azepane-1-carboxamide?
The InChIKey is NWCWWKHXMAWZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-9(13)8-11-10(14)12-6-4-2-3-5-7-12/h2-8H2,1H3,(H,11,14).
What are the key properties of N-(2-oxopropyl)azepane-1-carboxamide?
N-(2-oxopropyl)azepane-1-carboxamide has a molecular weight of 198.27 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxopropyl)azepane-1-carboxamide is sourced from PubChem (CID 79152815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).