2-methyl-1-propan-2-ylpyridin-4-one

C9H13NO — CID 57061508

IUPAC2-methyl-1-propan-2-ylpyridin-4-one
SMILESCc1cc(=O)ccn1C(C)C
InChIInChI=1S/C9H13NO/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7H,1-3H3
InChIKeyWDLIKFXARADTDE-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.74
Rot. Bonds1

About 2-methyl-1-propan-2-ylpyridin-4-one

2-methyl-1-propan-2-ylpyridin-4-one (PubChem CID 57061508) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methyl-1-propan-2-ylpyridin-4-one.

Molecular Properties

Compound Name2-methyl-1-propan-2-ylpyridin-4-one
PubChem CID57061508
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-methyl-1-propan-2-ylpyridin-4-one
SMILESCc1cc(=O)ccn1C(C)C
InChIInChI=1S/C9H13NO/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7H,1-3H3
InChIKeyWDLIKFXARADTDE-UHFFFAOYSA-N
XLogP1.74
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propan-2-ylpyridin-4-one?
The IUPAC name of 2-methyl-1-propan-2-ylpyridin-4-one (CID 57061508) is 2-methyl-1-propan-2-ylpyridin-4-one.
What is the SMILES notation for 2-methyl-1-propan-2-ylpyridin-4-one?
The canonical SMILES for 2-methyl-1-propan-2-ylpyridin-4-one is Cc1cc(=O)ccn1C(C)C.
What is the InChIKey of 2-methyl-1-propan-2-ylpyridin-4-one?
The InChIKey is WDLIKFXARADTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7(2)10-5-4-9(11)6-8(10)3/h4-7H,1-3H3.
What are the key properties of 2-methyl-1-propan-2-ylpyridin-4-one?
2-methyl-1-propan-2-ylpyridin-4-one has a molecular weight of 151.21 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propan-2-ylpyridin-4-one is sourced from PubChem (CID 57061508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).