1-pentylpyridin-2-one

C10H15NO — CID 67428756

IUPAC1-pentylpyridin-2-one
SMILESCCCCCn1ccccc1=O
InChIInChI=1S/C10H15NO/c1-2-3-5-8-11-9-6-4-7-10(11)12/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyALOXIBLMDVRDDG-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.04
Rot. Bonds4

About 1-pentylpyridin-2-one

1-pentylpyridin-2-one (PubChem CID 67428756) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-pentylpyridin-2-one.

Molecular Properties

Compound Name1-pentylpyridin-2-one
PubChem CID67428756
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-pentylpyridin-2-one
SMILESCCCCCn1ccccc1=O
InChIInChI=1S/C10H15NO/c1-2-3-5-8-11-9-6-4-7-10(11)12/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyALOXIBLMDVRDDG-UHFFFAOYSA-N
XLogP2.04
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pentylpyridin-2-one?
The IUPAC name of 1-pentylpyridin-2-one (CID 67428756) is 1-pentylpyridin-2-one.
What is the SMILES notation for 1-pentylpyridin-2-one?
The canonical SMILES for 1-pentylpyridin-2-one is CCCCCn1ccccc1=O.
What is the InChIKey of 1-pentylpyridin-2-one?
The InChIKey is ALOXIBLMDVRDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-5-8-11-9-6-4-7-10(11)12/h4,6-7,9H,2-3,5,8H2,1H3.
What are the key properties of 1-pentylpyridin-2-one?
1-pentylpyridin-2-one has a molecular weight of 165.24 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylpyridin-2-one is sourced from PubChem (CID 67428756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).