4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one

C10H15NO — CID 21334152

IUPAC4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(C)c1C(C)C
InChIInChI=1S/C10H15NO/c1-6(2)10-7(3)5-9(12)11-8(10)4/h5-6H,1-4H3,(H,11,12)
InChIKeyACKSBKZCIJQUOV-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.12
Rot. Bonds1

About 4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one

4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one (PubChem CID 21334152) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one
PubChem CID21334152
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(C)c1C(C)C
InChIInChI=1S/C10H15NO/c1-6(2)10-7(3)5-9(12)11-8(10)4/h5-6H,1-4H3,(H,11,12)
InChIKeyACKSBKZCIJQUOV-UHFFFAOYSA-N
XLogP2.12
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one (CID 21334152) is 4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one is Cc1cc(=O)[nH]c(C)c1C(C)C.
What is the InChIKey of 4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one?
The InChIKey is ACKSBKZCIJQUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-6(2)10-7(3)5-9(12)11-8(10)4/h5-6H,1-4H3,(H,11,12).
What are the key properties of 4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one?
4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one has a molecular weight of 165.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-5-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 21334152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).