5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one

C10H15NO — CID 91057359

IUPAC5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(C(C)C)c(=O)[nH]c1C
InChIInChI=1S/C10H15NO/c1-6(2)9-5-7(3)8(4)11-10(9)12/h5-6H,1-4H3,(H,11,12)
InChIKeyIGPSFUXAPVVRAC-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.12
Rot. Bonds1

About 5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one

5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one (PubChem CID 91057359) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one
PubChem CID91057359
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one
SMILESCc1cc(C(C)C)c(=O)[nH]c1C
InChIInChI=1S/C10H15NO/c1-6(2)9-5-7(3)8(4)11-10(9)12/h5-6H,1-4H3,(H,11,12)
InChIKeyIGPSFUXAPVVRAC-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 5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one (CID 91057359) is 5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one is Cc1cc(C(C)C)c(=O)[nH]c1C.
What is the InChIKey of 5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one?
The InChIKey is IGPSFUXAPVVRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-6(2)9-5-7(3)8(4)11-10(9)12/h5-6H,1-4H3,(H,11,12).
What are the key properties of 5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one?
5,6-dimethyl-3-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 5,6-dimethyl-3-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 91057359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).