4-benzyl-3,6-dimethyl-1H-pyridin-2-one

C14H15NO — CID 71293406

IUPAC4-benzyl-3,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(Cc2ccccc2)c(C)c(=O)[nH]1
InChIInChI=1S/C14H15NO/c1-10-8-13(11(2)14(16)15-10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyREZUPNPQKMQEKE-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.58
Rot. Bonds2

About 4-benzyl-3,6-dimethyl-1H-pyridin-2-one

4-benzyl-3,6-dimethyl-1H-pyridin-2-one (PubChem CID 71293406) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-benzyl-3,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-benzyl-3,6-dimethyl-1H-pyridin-2-one
PubChem CID71293406
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-benzyl-3,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(Cc2ccccc2)c(C)c(=O)[nH]1
InChIInChI=1S/C14H15NO/c1-10-8-13(11(2)14(16)15-10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyREZUPNPQKMQEKE-UHFFFAOYSA-N
XLogP2.58
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 4-benzyl-3,6-dimethyl-1H-pyridin-2-one (CID 71293406) is 4-benzyl-3,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 4-benzyl-3,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 4-benzyl-3,6-dimethyl-1H-pyridin-2-one is Cc1cc(Cc2ccccc2)c(C)c(=O)[nH]1.
What is the InChIKey of 4-benzyl-3,6-dimethyl-1H-pyridin-2-one?
The InChIKey is REZUPNPQKMQEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-8-13(11(2)14(16)15-10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of 4-benzyl-3,6-dimethyl-1H-pyridin-2-one?
4-benzyl-3,6-dimethyl-1H-pyridin-2-one has a molecular weight of 213.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 71293406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).