3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one

C24H33N3O3 — CID 159358834

IUPAC3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc(=O)[nH]1
InChIInChI=1S/3C8H11NO/c1-6(2)7-3-4-8(10)9-5-7;1-6(2)7-4-3-5-9-8(7)10;1-6(2)7-4-3-5-8(10)9-7/h3*3-6H,1-2H3,(H,9,10)
InChIKeyLIGQSLYTPHAMFO-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.49
Rot. Bonds3

About 3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one

3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one (PubChem CID 159358834) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is 3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one
PubChem CID159358834
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc(=O)[nH]1
InChIInChI=1S/3C8H11NO/c1-6(2)7-3-4-8(10)9-5-7;1-6(2)7-4-3-5-9-8(7)10;1-6(2)7-4-3-5-8(10)9-7/h3*3-6H,1-2H3,(H,9,10)
InChIKeyLIGQSLYTPHAMFO-UHFFFAOYSA-N
XLogP4.49
TPSA98.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

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2-methyl-5-propan-2-ylpyrazine;5-propan-2-yl-1H-pyridin-2-one
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3-(dihydroxymethyl)-1H-pyridin-2-one
CID 89458660
6-[(S)-amino(phenyl)methyl]-1H-pyridin-2-one
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3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one
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3-hexan-2-yl-1H-pyridin-2-one
CID 146209312

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one (CID 159358834) is 3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(=O)[nH]c1.CC(C)c1ccc[nH]c1=O.CC(C)c1cccc(=O)[nH]1.
What is the InChIKey of 3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is LIGQSLYTPHAMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H11NO/c1-6(2)7-3-4-8(10)9-5-7;1-6(2)7-4-3-5-9-8(7)10;1-6(2)7-4-3-5-8(10)9-7/h3*3-6H,1-2H3,(H,9,10).
What are the key properties of 3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one?
3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 411.55 g/mol, XLogP of 4.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1H-pyridin-2-one;5-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 159358834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).