(213C)1H-pyridin-2-one

C5H5NO — CID 12998482

IUPAC(213C)1H-pyridin-2-one
SMILESO=[13c]1cccc[nH]1
InChIInChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)/i5+1
InChIKeyUBQKCCHYAOITMY-HOSYLAQJSA-N
MW96.09 g/mol
LogP0.37
Rot. Bonds

About (213C)1H-pyridin-2-one

(213C)1H-pyridin-2-one (PubChem CID 12998482) has the molecular formula C5H5NO and a molecular weight of 96.09 g/mol. Its IUPAC name is (213C)1H-pyridin-2-one.

Molecular Properties

Compound Name(213C)1H-pyridin-2-one
PubChem CID12998482
Molecular FormulaC5H5NO
Molecular Weight96.09 g/mol
Exact Mass96.04
IUPAC Name(213C)1H-pyridin-2-one
SMILESO=[13c]1cccc[nH]1
InChIInChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)/i5+1
InChIKeyUBQKCCHYAOITMY-HOSYLAQJSA-N
XLogP0.37
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.09
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-pyridin-2-one
CID 157260165
(211C)1H-pyridin-2-one
CID 11788262
hydron;1H-pyridin-2-one
CID 131852568
1H-pyridin-2-one;titanium;hydrate
CID 87617254
ethanol;bis(1H-pyridin-2-one)
CID 174827377
ethane;pyrazine;1H-pyridin-2-one
CID 145202004
hexane;1H-pyridin-2-one
CID 175013137
6-chloro-1H-pyridin-2-one;1H-pyridin-2-one
CID 87792012
2-hydroxypropanedioic acid;1H-pyridin-2-one
CID 71407097
1-methylpyrrolidine;1H-pyridin-2-one
CID 143796889
N-ethyl-N-propan-2-ylpropan-2-amine;1H-pyridin-2-one
CID 68518788
2-aminobenzamide;1H-pyridin-2-one
CID 68828870

Frequently Asked Questions

What is the IUPAC name of (213C)1H-pyridin-2-one?
The IUPAC name of (213C)1H-pyridin-2-one (CID 12998482) is (213C)1H-pyridin-2-one.
What is the SMILES notation for (213C)1H-pyridin-2-one?
The canonical SMILES for (213C)1H-pyridin-2-one is O=[13c]1cccc[nH]1.
What is the InChIKey of (213C)1H-pyridin-2-one?
The InChIKey is UBQKCCHYAOITMY-HOSYLAQJSA-N. The full InChI is InChI=1S/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)/i5+1.
What are the key properties of (213C)1H-pyridin-2-one?
(213C)1H-pyridin-2-one has a molecular weight of 96.09 g/mol, XLogP of 0.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (213C)1H-pyridin-2-one is sourced from PubChem (CID 12998482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).