2-(dimethylamino)-1-(3-nitrophenyl)ethanone

C10H12N2O3 — CID 43219662

IUPAC2-(dimethylamino)-1-(3-nitrophenyl)ethanone
SMILESCN(C)CC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O3/c1-11(2)7-10(13)8-4-3-5-9(6-8)12(14)15/h3-6H,7H2,1-2H3
InChIKeyLGEMCUBERRKMOK-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.34
Rot. Bonds4

About 2-(dimethylamino)-1-(3-nitrophenyl)ethanone

2-(dimethylamino)-1-(3-nitrophenyl)ethanone (PubChem CID 43219662) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(3-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(3-nitrophenyl)ethanone
PubChem CID43219662
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(dimethylamino)-1-(3-nitrophenyl)ethanone
SMILESCN(C)CC(=O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H12N2O3/c1-11(2)7-10(13)8-4-3-5-9(6-8)12(14)15/h3-6H,7H2,1-2H3
InChIKeyLGEMCUBERRKMOK-UHFFFAOYSA-N
XLogP1.34
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.34
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

2-[3-(dimethylamino)propyl-methylamino]-1-(3-nitrophenyl)ethanone
CID 63699021
2-[3-[2-(dimethylamino)acetyl]pyridin-1-ium-1-yl]-1-(3-nitrophenyl)ethanone bromide
CID 170895828
2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]acetamide
CID 62050793
2-[methyl(2-methylbutan-2-yl)amino]-1-(3-nitrophenyl)ethanone
CID 63965089
2-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62035212
2-chloro-1-(3-nitrophenyl)ethanone
CID 7437
2-[butyl(ethyl)amino]-1-(3-nitrophenyl)ethanone
CID 43219886
2-methyl-3-[methyl-[2-(3-nitrophenyl)-2-oxoethyl]amino]propanenitrile
CID 62051688
sodium;hydride;2-hydroxy-1-(3-nitrophenyl)ethanone
CID 174839141
azane;2-bromo-1-(3-nitrophenyl)ethanone
CID 162313108
2-[carboxymethyl-(3-nitrobenzoyl)amino]acetic acid
CID 63651373
2-[methyl(oxan-4-ylmethyl)amino]-1-(3-nitrophenyl)ethanone
CID 63711390

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(3-nitrophenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(3-nitrophenyl)ethanone (CID 43219662) is 2-(dimethylamino)-1-(3-nitrophenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(3-nitrophenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(3-nitrophenyl)ethanone is CN(C)CC(=O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-(dimethylamino)-1-(3-nitrophenyl)ethanone?
The InChIKey is LGEMCUBERRKMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-11(2)7-10(13)8-4-3-5-9(6-8)12(14)15/h3-6H,7H2,1-2H3.
What are the key properties of 2-(dimethylamino)-1-(3-nitrophenyl)ethanone?
2-(dimethylamino)-1-(3-nitrophenyl)ethanone has a molecular weight of 208.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(3-nitrophenyl)ethanone is sourced from PubChem (CID 43219662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).