3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one

C14H15NO — CID 71362329

IUPAC3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one
SMILESCc1cccn([C@H](C)c2ccccc2)c1=O
InChIInChI=1S/C14H15NO/c1-11-7-6-10-15(14(11)16)12(2)13-8-4-3-5-9-13/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyORUXCKDKCKIQLS-GFCCVEGCSA-N
MW213.28 g/mol
LogP2.77
Rot. Bonds2

About 3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one

3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one (PubChem CID 71362329) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one
PubChem CID71362329
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one
SMILESCc1cccn([C@H](C)c2ccccc2)c1=O
InChIInChI=1S/C14H15NO/c1-11-7-6-10-15(14(11)16)12(2)13-8-4-3-5-9-13/h3-10,12H,1-2H3/t12-/m1/s1
InChIKeyORUXCKDKCKIQLS-GFCCVEGCSA-N
XLogP2.77
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one?
The IUPAC name of 3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one (CID 71362329) is 3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one.
What is the SMILES notation for 3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one?
The canonical SMILES for 3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one is Cc1cccn([C@H](C)c2ccccc2)c1=O.
What is the InChIKey of 3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one?
The InChIKey is ORUXCKDKCKIQLS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15NO/c1-11-7-6-10-15(14(11)16)12(2)13-8-4-3-5-9-13/h3-10,12H,1-2H3/t12-/m1/s1.
What are the key properties of 3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one?
3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one has a molecular weight of 213.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(1R)-1-phenylethyl]pyridin-2-one is sourced from PubChem (CID 71362329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).