3-(3-tert-butylphenyl)-1H-pyridin-2-one

C15H17NO — CID 44624989

IUPAC3-(3-tert-butylphenyl)-1H-pyridin-2-one
SMILESCC(C)(C)c1cccc(-c2ccc[nH]c2=O)c1
InChIInChI=1S/C15H17NO/c1-15(2,3)12-7-4-6-11(10-12)13-8-5-9-16-14(13)17/h4-10H,1-3H3,(H,16,17)
InChIKeyOCDNGTPNEHVSMA-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.34
Rot. Bonds1

About 3-(3-tert-butylphenyl)-1H-pyridin-2-one

3-(3-tert-butylphenyl)-1H-pyridin-2-one (PubChem CID 44624989) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(3-tert-butylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(3-tert-butylphenyl)-1H-pyridin-2-one
PubChem CID44624989
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-(3-tert-butylphenyl)-1H-pyridin-2-one
SMILESCC(C)(C)c1cccc(-c2ccc[nH]c2=O)c1
InChIInChI=1S/C15H17NO/c1-15(2,3)12-7-4-6-11(10-12)13-8-5-9-16-14(13)17/h4-10H,1-3H3,(H,16,17)
InChIKeyOCDNGTPNEHVSMA-UHFFFAOYSA-N
XLogP3.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-(3-tert-butylphenyl)-1H-pyridin-2-one (CID 44624989) is 3-(3-tert-butylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(3-tert-butylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(3-tert-butylphenyl)-1H-pyridin-2-one is CC(C)(C)c1cccc(-c2ccc[nH]c2=O)c1.
What is the InChIKey of 3-(3-tert-butylphenyl)-1H-pyridin-2-one?
The InChIKey is OCDNGTPNEHVSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-15(2,3)12-7-4-6-11(10-12)13-8-5-9-16-14(13)17/h4-10H,1-3H3,(H,16,17).
What are the key properties of 3-(3-tert-butylphenyl)-1H-pyridin-2-one?
3-(3-tert-butylphenyl)-1H-pyridin-2-one has a molecular weight of 227.31 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 44624989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).