(2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one

C12H13NO — CID 14943005

IUPAC(2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one
SMILESCc1ccccc1[C@@H]1CC(=O)C=CN1
InChIInChI=1S/C12H13NO/c1-9-4-2-3-5-11(9)12-8-10(14)6-7-13-12/h2-7,12-13H,8H2,1H3/t12-/m0/s1
InChIKeyTYNCTZCEORUOFG-LBPRGKRZSA-N
MW187.24 g/mol
LogP2.11
Rot. Bonds1

About (2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one

(2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one (PubChem CID 14943005) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one.

Molecular Properties

Compound Name(2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one
PubChem CID14943005
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one
SMILESCc1ccccc1[C@@H]1CC(=O)C=CN1
InChIInChI=1S/C12H13NO/c1-9-4-2-3-5-11(9)12-8-10(14)6-7-13-12/h2-7,12-13H,8H2,1H3/t12-/m0/s1
InChIKeyTYNCTZCEORUOFG-LBPRGKRZSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one?
The IUPAC name of (2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one (CID 14943005) is (2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one.
What is the SMILES notation for (2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one?
The canonical SMILES for (2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one is Cc1ccccc1[C@@H]1CC(=O)C=CN1.
What is the InChIKey of (2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one?
The InChIKey is TYNCTZCEORUOFG-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-4-2-3-5-11(9)12-8-10(14)6-7-13-12/h2-7,12-13H,8H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one?
(2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one has a molecular weight of 187.24 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-methylphenyl)-2,3-dihydro-1H-pyridin-4-one is sourced from PubChem (CID 14943005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).