6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one

C12H12N2O — CID 124581210

IUPAC6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one
SMILESN[C@@H](c1ccccc1)c1cccc(=O)[nH]1
InChIInChI=1S/C12H12N2O/c13-12(9-5-2-1-3-6-9)10-7-4-8-11(15)14-10/h1-8,12H,13H2,(H,14,15)/t12-/m0/s1
InChIKeyVWAAALJNGHUMGC-LBPRGKRZSA-N
MW200.24 g/mol
LogP1.42
Rot. Bonds2

About 6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one

6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one (PubChem CID 124581210) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one
PubChem CID124581210
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one
SMILESN[C@@H](c1ccccc1)c1cccc(=O)[nH]1
InChIInChI=1S/C12H12N2O/c13-12(9-5-2-1-3-6-9)10-7-4-8-11(15)14-10/h1-8,12H,13H2,(H,14,15)/t12-/m0/s1
InChIKeyVWAAALJNGHUMGC-LBPRGKRZSA-N
XLogP1.42
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one?
The IUPAC name of 6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one (CID 124581210) is 6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one is N[C@@H](c1ccccc1)c1cccc(=O)[nH]1.
What is the InChIKey of 6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one?
The InChIKey is VWAAALJNGHUMGC-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12N2O/c13-12(9-5-2-1-3-6-9)10-7-4-8-11(15)14-10/h1-8,12H,13H2,(H,14,15)/t12-/m0/s1.
What are the key properties of 6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one?
6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 124581210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).