2-methyl-1-propylpyridin-4-one

C9H13NO — CID 54102952

IUPAC2-methyl-1-propylpyridin-4-one
SMILESCCCn1ccc(=O)cc1C
InChIInChI=1S/C9H13NO/c1-3-5-10-6-4-9(11)7-8(10)2/h4,6-7H,3,5H2,1-2H3
InChIKeyNBUBJVNXPWLGMV-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.57
Rot. Bonds2

About 2-methyl-1-propylpyridin-4-one

2-methyl-1-propylpyridin-4-one (PubChem CID 54102952) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-methyl-1-propylpyridin-4-one.

Molecular Properties

Compound Name2-methyl-1-propylpyridin-4-one
PubChem CID54102952
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-methyl-1-propylpyridin-4-one
SMILESCCCn1ccc(=O)cc1C
InChIInChI=1S/C9H13NO/c1-3-5-10-6-4-9(11)7-8(10)2/h4,6-7H,3,5H2,1-2H3
InChIKeyNBUBJVNXPWLGMV-UHFFFAOYSA-N
XLogP1.57
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-propylpyridin-4-one?
The IUPAC name of 2-methyl-1-propylpyridin-4-one (CID 54102952) is 2-methyl-1-propylpyridin-4-one.
What is the SMILES notation for 2-methyl-1-propylpyridin-4-one?
The canonical SMILES for 2-methyl-1-propylpyridin-4-one is CCCn1ccc(=O)cc1C.
What is the InChIKey of 2-methyl-1-propylpyridin-4-one?
The InChIKey is NBUBJVNXPWLGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-5-10-6-4-9(11)7-8(10)2/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 2-methyl-1-propylpyridin-4-one?
2-methyl-1-propylpyridin-4-one has a molecular weight of 151.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-propylpyridin-4-one is sourced from PubChem (CID 54102952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).