(213C)3H-pyridin-2-one

C5H5NO — CID 56998722

IUPAC(213C)3H-pyridin-2-one
SMILESO=[13C]1CC=CC=N1
InChIInChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-2,4H,3H2/i5+1
InChIKeyFPGGLMIYNLQOID-HOSYLAQJSA-N
MW96.09 g/mol
LogP0.54
Rot. Bonds

About (213C)3H-pyridin-2-one

(213C)3H-pyridin-2-one (PubChem CID 56998722) has the molecular formula C5H5NO and a molecular weight of 96.09 g/mol. Its IUPAC name is (213C)3H-pyridin-2-one.

Molecular Properties

Compound Name(213C)3H-pyridin-2-one
PubChem CID56998722
Molecular FormulaC5H5NO
Molecular Weight96.09 g/mol
Exact Mass96.04
IUPAC Name(213C)3H-pyridin-2-one
SMILESO=[13C]1CC=CC=N1
InChIInChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-2,4H,3H2/i5+1
InChIKeyFPGGLMIYNLQOID-HOSYLAQJSA-N
XLogP0.54
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.09
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (213C)3H-pyridin-2-one?
The IUPAC name of (213C)3H-pyridin-2-one (CID 56998722) is (213C)3H-pyridin-2-one.
What is the SMILES notation for (213C)3H-pyridin-2-one?
The canonical SMILES for (213C)3H-pyridin-2-one is O=[13C]1CC=CC=N1.
What is the InChIKey of (213C)3H-pyridin-2-one?
The InChIKey is FPGGLMIYNLQOID-HOSYLAQJSA-N. The full InChI is InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-2,4H,3H2/i5+1.
What are the key properties of (213C)3H-pyridin-2-one?
(213C)3H-pyridin-2-one has a molecular weight of 96.09 g/mol, XLogP of 0.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (213C)3H-pyridin-2-one is sourced from PubChem (CID 56998722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).