1-(4-tert-butylphenyl)-5-nitropyridin-2-one

C15H16N2O3 — CID 132581860

IUPAC1-(4-tert-butylphenyl)-5-nitropyridin-2-one
SMILESCC(C)(C)c1ccc(-n2cc([N+](=O)[O-])ccc2=O)cc1
InChIInChI=1S/C15H16N2O3/c1-15(2,3)11-4-6-12(7-5-11)16-10-13(17(19)20)8-9-14(16)18/h4-10H,1-3H3
InChIKeyRYTSTAFNNXNZML-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.04
Rot. Bonds2

About 1-(4-tert-butylphenyl)-5-nitropyridin-2-one

1-(4-tert-butylphenyl)-5-nitropyridin-2-one (PubChem CID 132581860) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-5-nitropyridin-2-one.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-5-nitropyridin-2-one
PubChem CID132581860
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name1-(4-tert-butylphenyl)-5-nitropyridin-2-one
SMILESCC(C)(C)c1ccc(-n2cc([N+](=O)[O-])ccc2=O)cc1
InChIInChI=1S/C15H16N2O3/c1-15(2,3)11-4-6-12(7-5-11)16-10-13(17(19)20)8-9-14(16)18/h4-10H,1-3H3
InChIKeyRYTSTAFNNXNZML-UHFFFAOYSA-N
XLogP3.04
TPSA65.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]pyridin-2-one
CID 58016522
5-methyl-1-[4-(2-methylbutan-2-yl)phenyl]pyridin-2-one
CID 164564971
1-methyl-2-(4-nitrophenyl)pyridazine-3,6-dione
CID 12863309
2-[(4-tert-butylphenyl)methyl]-5-nitroisoindole-1,3-dione
CID 16796676
1-(4-tert-butylphenyl)sulfonyl-4-(4-nitrophenyl)piperazine
CID 15997991
(4-tert-butylphenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 2866141
1-(2,3-dimethylbutan-2-yl)-4-nitrobenzene
CID 121011525
N-[2-[(4-tert-butylphenyl)methyl]pyrazol-3-yl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 52684518
1-(4-tert-butylphenyl)-2,4-dioxopyrimidine-5-carbonitrile
CID 20519702
3-(methoxymethyl)-5-nitro-1-[4-(trifluoromethyl)phenyl]indole
CID 156881292
3-(5-nitro-2-oxo-1-pyridinyl)propanal
CID 63040006
5-nitro-2-[4-[[4-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl]-diphenylmethyl]phenyl]isoindole-1,3-dione
CID 17018691

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-5-nitropyridin-2-one?
The IUPAC name of 1-(4-tert-butylphenyl)-5-nitropyridin-2-one (CID 132581860) is 1-(4-tert-butylphenyl)-5-nitropyridin-2-one.
What is the SMILES notation for 1-(4-tert-butylphenyl)-5-nitropyridin-2-one?
The canonical SMILES for 1-(4-tert-butylphenyl)-5-nitropyridin-2-one is CC(C)(C)c1ccc(-n2cc([N+](=O)[O-])ccc2=O)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-5-nitropyridin-2-one?
The InChIKey is RYTSTAFNNXNZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-15(2,3)11-4-6-12(7-5-11)16-10-13(17(19)20)8-9-14(16)18/h4-10H,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-5-nitropyridin-2-one?
1-(4-tert-butylphenyl)-5-nitropyridin-2-one has a molecular weight of 272.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-5-nitropyridin-2-one is sourced from PubChem (CID 132581860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).