6-pentyl-1H-pyridin-2-one

C10H15NO — CID 19435815

IUPAC6-pentyl-1H-pyridin-2-one
SMILESCCCCCc1cccc(=O)[nH]1
InChIInChI=1S/C10H15NO/c1-2-3-4-6-9-7-5-8-10(12)11-9/h5,7-8H,2-4,6H2,1H3,(H,11,12)
InChIKeyXAZKCIIQRGWWPM-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.11
Rot. Bonds4

About 6-pentyl-1H-pyridin-2-one

6-pentyl-1H-pyridin-2-one (PubChem CID 19435815) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-pentyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-pentyl-1H-pyridin-2-one
PubChem CID19435815
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name6-pentyl-1H-pyridin-2-one
SMILESCCCCCc1cccc(=O)[nH]1
InChIInChI=1S/C10H15NO/c1-2-3-4-6-9-7-5-8-10(12)11-9/h5,7-8H,2-4,6H2,1H3,(H,11,12)
InChIKeyXAZKCIIQRGWWPM-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 6-pentyl-1H-pyridin-2-one?
The IUPAC name of 6-pentyl-1H-pyridin-2-one (CID 19435815) is 6-pentyl-1H-pyridin-2-one.
What is the SMILES notation for 6-pentyl-1H-pyridin-2-one?
The canonical SMILES for 6-pentyl-1H-pyridin-2-one is CCCCCc1cccc(=O)[nH]1.
What is the InChIKey of 6-pentyl-1H-pyridin-2-one?
The InChIKey is XAZKCIIQRGWWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-3-4-6-9-7-5-8-10(12)11-9/h5,7-8H,2-4,6H2,1H3,(H,11,12).
What are the key properties of 6-pentyl-1H-pyridin-2-one?
6-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 6-pentyl-1H-pyridin-2-one is sourced from PubChem (CID 19435815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).