5-(azepane-1-carbonyl)-1H-pyridin-2-one

C12H16N2O2 — CID 4788761

IUPAC5-(azepane-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCCCCC1
InChIInChI=1S/C12H16N2O2/c15-11-6-5-10(9-13-11)12(16)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,13,15)
InChIKeyVGRXAMPMDUYNRE-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.39
Rot. Bonds1

About 5-(azepane-1-carbonyl)-1H-pyridin-2-one

5-(azepane-1-carbonyl)-1H-pyridin-2-one (PubChem CID 4788761) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-(azepane-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(azepane-1-carbonyl)-1H-pyridin-2-one
PubChem CID4788761
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-(azepane-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc(=O)[nH]c1)N1CCCCCC1
InChIInChI=1S/C12H16N2O2/c15-11-6-5-10(9-13-11)12(16)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,13,15)
InChIKeyVGRXAMPMDUYNRE-UHFFFAOYSA-N
XLogP1.39
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(azepane-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 5-(azepane-1-carbonyl)-1H-pyridin-2-one (CID 4788761) is 5-(azepane-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(azepane-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(azepane-1-carbonyl)-1H-pyridin-2-one is O=C(c1ccc(=O)[nH]c1)N1CCCCCC1.
What is the InChIKey of 5-(azepane-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is VGRXAMPMDUYNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11-6-5-10(9-13-11)12(16)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,13,15).
What are the key properties of 5-(azepane-1-carbonyl)-1H-pyridin-2-one?
5-(azepane-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azepane-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 4788761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).