2-(methylamino)-1-(2-nitrophenyl)ethanone

C9H10N2O3 — CID 23083587

IUPAC2-(methylamino)-1-(2-nitrophenyl)ethanone
SMILESCNCC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3/c1-10-6-9(12)7-4-2-3-5-8(7)11(13)14/h2-5,10H,6H2,1H3
InChIKeyOCXMEFOMHSGGPR-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.00
Rot. Bonds4

About 2-(methylamino)-1-(2-nitrophenyl)ethanone

2-(methylamino)-1-(2-nitrophenyl)ethanone (PubChem CID 23083587) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(methylamino)-1-(2-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-(2-nitrophenyl)ethanone
PubChem CID23083587
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC Name2-(methylamino)-1-(2-nitrophenyl)ethanone
SMILESCNCC(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O3/c1-10-6-9(12)7-4-2-3-5-8(7)11(13)14/h2-5,10H,6H2,1H3
InChIKeyOCXMEFOMHSGGPR-UHFFFAOYSA-N
XLogP1.00
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
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

tert-butyl N-[2-(2-nitrophenyl)-2-oxoethyl]carbamate
CID 10731418
1-(2-nitrophenyl)pentane-1,4-dione
CID 43608280
methyl 5-(2-nitrophenyl)-5-oxopentanoate
CID 67958165
1,2-bis(2-nitrophenyl)ethanone
CID 2750227
2-methylsulfonyl-1-(2-nitrophenyl)ethanone
CID 14358411
[2-(2-nitrophenyl)-2-oxoethyl] nitrate
CID 71676932
1,2-bis(2-nitrophenyl)ethane-1,2-dione
CID 15851155
benzene;2-nitrobenzoic acid
CID 19891435
N-(3,3-dimethyl-2-oxobutyl)-2-nitrobenzamide
CID 64991410
4-(dimethylamino)-1-(2-nitrophenyl)butan-1-one
CID 119085797
ethane;methane;1-(2-nitrophenyl)ethanone
CID 161143607
acetic acid;(2-nitrophenyl)-phenylmethanone
CID 172806545

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(2-nitrophenyl)ethanone?
The IUPAC name of 2-(methylamino)-1-(2-nitrophenyl)ethanone (CID 23083587) is 2-(methylamino)-1-(2-nitrophenyl)ethanone.
What is the SMILES notation for 2-(methylamino)-1-(2-nitrophenyl)ethanone?
The canonical SMILES for 2-(methylamino)-1-(2-nitrophenyl)ethanone is CNCC(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(methylamino)-1-(2-nitrophenyl)ethanone?
The InChIKey is OCXMEFOMHSGGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-10-6-9(12)7-4-2-3-5-8(7)11(13)14/h2-5,10H,6H2,1H3.
What are the key properties of 2-(methylamino)-1-(2-nitrophenyl)ethanone?
2-(methylamino)-1-(2-nitrophenyl)ethanone has a molecular weight of 194.19 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(2-nitrophenyl)ethanone is sourced from PubChem (CID 23083587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).