6-butan-2-yl-5-propyl-1H-pyridin-2-one

C12H19NO — CID 143612154

IUPAC6-butan-2-yl-5-propyl-1H-pyridin-2-one
SMILESCCCc1ccc(=O)[nH]c1C(C)CC
InChIInChI=1S/C12H19NO/c1-4-6-10-7-8-11(14)13-12(10)9(3)5-2/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyYZPVWGMRADWALO-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.84
Rot. Bonds4

About 6-butan-2-yl-5-propyl-1H-pyridin-2-one

6-butan-2-yl-5-propyl-1H-pyridin-2-one (PubChem CID 143612154) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 6-butan-2-yl-5-propyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butan-2-yl-5-propyl-1H-pyridin-2-one
PubChem CID143612154
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name6-butan-2-yl-5-propyl-1H-pyridin-2-one
SMILESCCCc1ccc(=O)[nH]c1C(C)CC
InChIInChI=1S/C12H19NO/c1-4-6-10-7-8-11(14)13-12(10)9(3)5-2/h7-9H,4-6H2,1-3H3,(H,13,14)
InChIKeyYZPVWGMRADWALO-UHFFFAOYSA-N
XLogP2.84
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-5-propyl-1H-pyridin-2-one?
The IUPAC name of 6-butan-2-yl-5-propyl-1H-pyridin-2-one (CID 143612154) is 6-butan-2-yl-5-propyl-1H-pyridin-2-one.
What is the SMILES notation for 6-butan-2-yl-5-propyl-1H-pyridin-2-one?
The canonical SMILES for 6-butan-2-yl-5-propyl-1H-pyridin-2-one is CCCc1ccc(=O)[nH]c1C(C)CC.
What is the InChIKey of 6-butan-2-yl-5-propyl-1H-pyridin-2-one?
The InChIKey is YZPVWGMRADWALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-6-10-7-8-11(14)13-12(10)9(3)5-2/h7-9H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 6-butan-2-yl-5-propyl-1H-pyridin-2-one?
6-butan-2-yl-5-propyl-1H-pyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-5-propyl-1H-pyridin-2-one is sourced from PubChem (CID 143612154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).