6-propyl-1H-pyridin-2-one

C8H11NO — CID 23352096

IUPAC6-propyl-1H-pyridin-2-one
SMILESCCCc1cccc(=O)[nH]1
InChIInChI=1S/C8H11NO/c1-2-4-7-5-3-6-8(10)9-7/h3,5-6H,2,4H2,1H3,(H,9,10)
InChIKeyCDEBRYPYJRWMDC-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.33
Rot. Bonds2

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

6-propyl-1H-pyridin-2-one (PubChem CID 23352096) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 6-propyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-propyl-1H-pyridin-2-one
PubChem CID23352096
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name6-propyl-1H-pyridin-2-one
SMILESCCCc1cccc(=O)[nH]1
InChIInChI=1S/C8H11NO/c1-2-4-7-5-3-6-8(10)9-7/h3,5-6H,2,4H2,1H3,(H,9,10)
InChIKeyCDEBRYPYJRWMDC-UHFFFAOYSA-N
XLogP1.33
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propyl-1H-pyridin-2-one?
The IUPAC name of 6-propyl-1H-pyridin-2-one (CID 23352096) is 6-propyl-1H-pyridin-2-one.
What is the SMILES notation for 6-propyl-1H-pyridin-2-one?
The canonical SMILES for 6-propyl-1H-pyridin-2-one is CCCc1cccc(=O)[nH]1.
What is the InChIKey of 6-propyl-1H-pyridin-2-one?
The InChIKey is CDEBRYPYJRWMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-4-7-5-3-6-8(10)9-7/h3,5-6H,2,4H2,1H3,(H,9,10).
What are the key properties of 6-propyl-1H-pyridin-2-one?
6-propyl-1H-pyridin-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propyl-1H-pyridin-2-one is sourced from PubChem (CID 23352096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).