3-acetyl-1-propylpyridin-2-one

C10H13NO2 — CID 82526944

IUPAC3-acetyl-1-propylpyridin-2-one
SMILESCCCn1cccc(C(C)=O)c1=O
InChIInChI=1S/C10H13NO2/c1-3-6-11-7-4-5-9(8(2)12)10(11)13/h4-5,7H,3,6H2,1-2H3
InChIKeySRRLXWMDZKRXAF-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.46
Rot. Bonds3

About 3-acetyl-1-propylpyridin-2-one

3-acetyl-1-propylpyridin-2-one (PubChem CID 82526944) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-acetyl-1-propylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-1-propylpyridin-2-one
PubChem CID82526944
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name3-acetyl-1-propylpyridin-2-one
SMILESCCCn1cccc(C(C)=O)c1=O
InChIInChI=1S/C10H13NO2/c1-3-6-11-7-4-5-9(8(2)12)10(11)13/h4-5,7H,3,6H2,1-2H3
InChIKeySRRLXWMDZKRXAF-UHFFFAOYSA-N
XLogP1.46
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-propylpyridin-2-one?
The IUPAC name of 3-acetyl-1-propylpyridin-2-one (CID 82526944) is 3-acetyl-1-propylpyridin-2-one.
What is the SMILES notation for 3-acetyl-1-propylpyridin-2-one?
The canonical SMILES for 3-acetyl-1-propylpyridin-2-one is CCCn1cccc(C(C)=O)c1=O.
What is the InChIKey of 3-acetyl-1-propylpyridin-2-one?
The InChIKey is SRRLXWMDZKRXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-6-11-7-4-5-9(8(2)12)10(11)13/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 3-acetyl-1-propylpyridin-2-one?
3-acetyl-1-propylpyridin-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-propylpyridin-2-one is sourced from PubChem (CID 82526944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).