N-(2-oxoazepan-3-yl)furan-2-carboxamide

C11H14N2O3 — CID 2813196

IUPACN-(2-oxoazepan-3-yl)furan-2-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1ccco1
InChIInChI=1S/C11H14N2O3/c14-10-8(4-1-2-6-12-10)13-11(15)9-5-3-7-16-9/h3,5,7-8H,1-2,4,6H2,(H,12,14)(H,13,15)
InChIKeyKMCPPIBDTMYPRI-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.68
Rot. Bonds2

About N-(2-oxoazepan-3-yl)furan-2-carboxamide

N-(2-oxoazepan-3-yl)furan-2-carboxamide (PubChem CID 2813196) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)furan-2-carboxamide
PubChem CID2813196
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-(2-oxoazepan-3-yl)furan-2-carboxamide
SMILESO=C(NC1CCCCNC1=O)c1ccco1
InChIInChI=1S/C11H14N2O3/c14-10-8(4-1-2-6-12-10)13-11(15)9-5-3-7-16-9/h3,5,7-8H,1-2,4,6H2,(H,12,14)(H,13,15)
InChIKeyKMCPPIBDTMYPRI-UHFFFAOYSA-N
XLogP0.68
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxoazepan-3-yl)furan-2-carboxamide?
The IUPAC name of N-(2-oxoazepan-3-yl)furan-2-carboxamide (CID 2813196) is N-(2-oxoazepan-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)furan-2-carboxamide is O=C(NC1CCCCNC1=O)c1ccco1.
What is the InChIKey of N-(2-oxoazepan-3-yl)furan-2-carboxamide?
The InChIKey is KMCPPIBDTMYPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10-8(4-1-2-6-12-10)13-11(15)9-5-3-7-16-9/h3,5,7-8H,1-2,4,6H2,(H,12,14)(H,13,15).
What are the key properties of N-(2-oxoazepan-3-yl)furan-2-carboxamide?
N-(2-oxoazepan-3-yl)furan-2-carboxamide has a molecular weight of 222.24 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 2813196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).