2-methylpropane;3-methyl-1H-pyridin-2-one

C10H17NO — CID 143900479

IUPAC2-methylpropane;3-methyl-1H-pyridin-2-one
SMILESCC(C)C.Cc1ccc[nH]c1=O
InChIInChI=1S/C6H7NO.C4H10/c1-5-3-2-4-7-6(5)8;1-4(2)3/h2-4H,1H3,(H,7,8);4H,1-3H3
InChIKeyLLQMZRHMCRPOBE-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.35
Rot. Bonds

About 2-methylpropane;3-methyl-1H-pyridin-2-one

2-methylpropane;3-methyl-1H-pyridin-2-one (PubChem CID 143900479) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methylpropane;3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name2-methylpropane;3-methyl-1H-pyridin-2-one
PubChem CID143900479
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methylpropane;3-methyl-1H-pyridin-2-one
SMILESCC(C)C.Cc1ccc[nH]c1=O
InChIInChI=1S/C6H7NO.C4H10/c1-5-3-2-4-7-6(5)8;1-4(2)3/h2-4H,1H3,(H,7,8);4H,1-3H3
InChIKeyLLQMZRHMCRPOBE-UHFFFAOYSA-N
XLogP2.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;3-methyl-1H-pyridin-2-one?
The IUPAC name of 2-methylpropane;3-methyl-1H-pyridin-2-one (CID 143900479) is 2-methylpropane;3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 2-methylpropane;3-methyl-1H-pyridin-2-one?
The canonical SMILES for 2-methylpropane;3-methyl-1H-pyridin-2-one is CC(C)C.Cc1ccc[nH]c1=O.
What is the InChIKey of 2-methylpropane;3-methyl-1H-pyridin-2-one?
The InChIKey is LLQMZRHMCRPOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C4H10/c1-5-3-2-4-7-6(5)8;1-4(2)3/h2-4H,1H3,(H,7,8);4H,1-3H3.
What are the key properties of 2-methylpropane;3-methyl-1H-pyridin-2-one?
2-methylpropane;3-methyl-1H-pyridin-2-one has a molecular weight of 167.25 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 143900479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).