4,5-dimethyl-1-propan-2-ylpyridin-2-one

C10H15NO — CID 118013007

IUPAC4,5-dimethyl-1-propan-2-ylpyridin-2-one
SMILESCc1cc(=O)n(C(C)C)cc1C
InChIInChI=1S/C10H15NO/c1-7(2)11-6-9(4)8(3)5-10(11)12/h5-7H,1-4H3
InChIKeyNPGPUUBQEHHDGP-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.05
Rot. Bonds1

About 4,5-dimethyl-1-propan-2-ylpyridin-2-one

4,5-dimethyl-1-propan-2-ylpyridin-2-one (PubChem CID 118013007) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4,5-dimethyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name4,5-dimethyl-1-propan-2-ylpyridin-2-one
PubChem CID118013007
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4,5-dimethyl-1-propan-2-ylpyridin-2-one
SMILESCc1cc(=O)n(C(C)C)cc1C
InChIInChI=1S/C10H15NO/c1-7(2)11-6-9(4)8(3)5-10(11)12/h5-7H,1-4H3
InChIKeyNPGPUUBQEHHDGP-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 4,5-dimethyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 4,5-dimethyl-1-propan-2-ylpyridin-2-one (CID 118013007) is 4,5-dimethyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 4,5-dimethyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 4,5-dimethyl-1-propan-2-ylpyridin-2-one is Cc1cc(=O)n(C(C)C)cc1C.
What is the InChIKey of 4,5-dimethyl-1-propan-2-ylpyridin-2-one?
The InChIKey is NPGPUUBQEHHDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)11-6-9(4)8(3)5-10(11)12/h5-7H,1-4H3.
What are the key properties of 4,5-dimethyl-1-propan-2-ylpyridin-2-one?
4,5-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 4,5-dimethyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 118013007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).