2-pentyl-1H-pyridin-4-one

C10H15NO — CID 57107740

IUPAC2-pentyl-1H-pyridin-4-one
SMILESCCCCCc1cc(=O)cc[nH]1
InChIInChI=1S/C10H15NO/c1-2-3-4-5-9-8-10(12)6-7-11-9/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyLRBZZOKKUJQTMW-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.11
Rot. Bonds4

About 2-pentyl-1H-pyridin-4-one

2-pentyl-1H-pyridin-4-one (PubChem CID 57107740) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-pentyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2-pentyl-1H-pyridin-4-one
PubChem CID57107740
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-pentyl-1H-pyridin-4-one
SMILESCCCCCc1cc(=O)cc[nH]1
InChIInChI=1S/C10H15NO/c1-2-3-4-5-9-8-10(12)6-7-11-9/h6-8H,2-5H2,1H3,(H,11,12)
InChIKeyLRBZZOKKUJQTMW-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 2-pentyl-1H-pyridin-4-one?
The IUPAC name of 2-pentyl-1H-pyridin-4-one (CID 57107740) is 2-pentyl-1H-pyridin-4-one.
What is the SMILES notation for 2-pentyl-1H-pyridin-4-one?
The canonical SMILES for 2-pentyl-1H-pyridin-4-one is CCCCCc1cc(=O)cc[nH]1.
What is the InChIKey of 2-pentyl-1H-pyridin-4-one?
The InChIKey is LRBZZOKKUJQTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-4-5-9-8-10(12)6-7-11-9/h6-8H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-pentyl-1H-pyridin-4-one?
2-pentyl-1H-pyridin-4-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 2-pentyl-1H-pyridin-4-one is sourced from PubChem (CID 57107740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).