6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one

C12H19NO — CID 59706693

IUPAC6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(=O)[nH]c1C(C)(C)C
InChIInChI=1S/C12H19NO/c1-8(2)9-6-7-10(14)13-11(9)12(3,4)5/h6-8H,1-5H3,(H,13,14)
InChIKeySVDCLWBOQUDFGA-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.80
Rot. Bonds1

About 6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one

6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one (PubChem CID 59706693) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one
PubChem CID59706693
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(=O)[nH]c1C(C)(C)C
InChIInChI=1S/C12H19NO/c1-8(2)9-6-7-10(14)13-11(9)12(3,4)5/h6-8H,1-5H3,(H,13,14)
InChIKeySVDCLWBOQUDFGA-UHFFFAOYSA-N
XLogP2.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one (CID 59706693) is 6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(=O)[nH]c1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one?
The InChIKey is SVDCLWBOQUDFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-8(2)9-6-7-10(14)13-11(9)12(3,4)5/h6-8H,1-5H3,(H,13,14).
What are the key properties of 6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one?
6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one has a molecular weight of 193.29 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 59706693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).