2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone

C11H14N2O4 — CID 170896347

IUPAC2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone
SMILESCc1cc(C(=O)CN(C)C)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O4/c1-7-4-8(10(14)6-12(2)3)11(15)9(5-7)13(16)17/h4-5,15H,6H2,1-3H3
InChIKeyBBJHMJUKFFXHDV-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.35
Rot. Bonds4

About 2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone

2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone (PubChem CID 170896347) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone
PubChem CID170896347
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone
SMILESCc1cc(C(=O)CN(C)C)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H14N2O4/c1-7-4-8(10(14)6-12(2)3)11(15)9(5-7)13(16)17/h4-5,15H,6H2,1-3H3
InChIKeyBBJHMJUKFFXHDV-UHFFFAOYSA-N
XLogP1.35
TPSA83.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N,N-diethyl-2-hydroxy-5-methyl-3-nitrobenzamide
CID 14980172
2-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-4-methyl-6-nitrophenol
CID 137199495
1-(4,5-dimethoxy-2-nitrophenyl)-2-(dimethylamino)ethanone
CID 170896249
5-methyl-3-nitrobenzene-1,2-diol
CID 3976897
2-hydroxy-N,N-dimethyl-3,5-dinitrobenzamide
CID 3428904
2,5-dimethyl-3-nitrobenzamide
CID 119008464
2,5-dimethyl-3-nitrobenzoyl chloride
CID 96829774
1-(4-chloro-3-nitrophenyl)-2-(dimethylamino)ethanone
CID 170895974
1-(4-bromo-3-nitrophenyl)-2-(dimethylamino)ethanone
CID 170896011
2-(dimethylamino)-1-[5-[2-(dimethylamino)acetyl]-2,4-dihydroxy-3-propylphenyl]ethanone
CID 170896236
2-bromo-1-(5-fluoro-2-hydroxy-3-nitrophenyl)ethanone
CID 53441697
1-[5-(chloromethyl)-2-hydroxy-3-nitrophenyl]ethanone
CID 71375100

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone (CID 170896347) is 2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone is Cc1cc(C(=O)CN(C)C)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone?
The InChIKey is BBJHMJUKFFXHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-4-8(10(14)6-12(2)3)11(15)9(5-7)13(16)17/h4-5,15H,6H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone?
2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone has a molecular weight of 238.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2-hydroxy-5-methyl-3-nitrophenyl)ethanone is sourced from PubChem (CID 170896347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).