5-pentyl-1H-pyridin-2-one

C10H15NO — CID 12552273

IUPAC5-pentyl-1H-pyridin-2-one
SMILESCCCCCc1ccc(=O)[nH]c1
InChIInChI=1S/C10H15NO/c1-2-3-4-5-9-6-7-10(12)11-8-9/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyCQQVPPRBDSUMPY-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.11
Rot. Bonds4

About 5-pentyl-1H-pyridin-2-one

5-pentyl-1H-pyridin-2-one (PubChem CID 12552273) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 5-pentyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-pentyl-1H-pyridin-2-one
PubChem CID12552273
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name5-pentyl-1H-pyridin-2-one
SMILESCCCCCc1ccc(=O)[nH]c1
InChIInChI=1S/C10H15NO/c1-2-3-4-5-9-6-7-10(12)11-8-9/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyCQQVPPRBDSUMPY-UHFFFAOYSA-N
XLogP2.11
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-pentyl-1H-pyridin-2-one?
The IUPAC name of 5-pentyl-1H-pyridin-2-one (CID 12552273) is 5-pentyl-1H-pyridin-2-one.
What is the SMILES notation for 5-pentyl-1H-pyridin-2-one?
The canonical SMILES for 5-pentyl-1H-pyridin-2-one is CCCCCc1ccc(=O)[nH]c1.
What is the InChIKey of 5-pentyl-1H-pyridin-2-one?
The InChIKey is CQQVPPRBDSUMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-4-5-9-6-7-10(12)11-8-9/h6-8H,2-5H2,1H3,(H,11,12).
What are the key properties of 5-pentyl-1H-pyridin-2-one?
5-pentyl-1H-pyridin-2-one has a molecular weight of 165.24 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-1H-pyridin-2-one is sourced from PubChem (CID 12552273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).