3,4-dimethyl-1-propan-2-ylpyridin-2-one

C10H15NO — CID 118683349

IUPAC3,4-dimethyl-1-propan-2-ylpyridin-2-one
SMILESCc1ccn(C(C)C)c(=O)c1C
InChIInChI=1S/C10H15NO/c1-7(2)11-6-5-8(3)9(4)10(11)12/h5-7H,1-4H3
InChIKeyACGHCSISLBGOBX-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.05
Rot. Bonds1

About 3,4-dimethyl-1-propan-2-ylpyridin-2-one

3,4-dimethyl-1-propan-2-ylpyridin-2-one (PubChem CID 118683349) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3,4-dimethyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3,4-dimethyl-1-propan-2-ylpyridin-2-one
PubChem CID118683349
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3,4-dimethyl-1-propan-2-ylpyridin-2-one
SMILESCc1ccn(C(C)C)c(=O)c1C
InChIInChI=1S/C10H15NO/c1-7(2)11-6-5-8(3)9(4)10(11)12/h5-7H,1-4H3
InChIKeyACGHCSISLBGOBX-UHFFFAOYSA-N
XLogP2.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3,4-dimethyl-1-propan-2-ylpyridin-2-one (CID 118683349) is 3,4-dimethyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3,4-dimethyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3,4-dimethyl-1-propan-2-ylpyridin-2-one is Cc1ccn(C(C)C)c(=O)c1C.
What is the InChIKey of 3,4-dimethyl-1-propan-2-ylpyridin-2-one?
The InChIKey is ACGHCSISLBGOBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)11-6-5-8(3)9(4)10(11)12/h5-7H,1-4H3.
What are the key properties of 3,4-dimethyl-1-propan-2-ylpyridin-2-one?
3,4-dimethyl-1-propan-2-ylpyridin-2-one has a molecular weight of 165.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 118683349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).