2-(methylcarbamoyl)-4-nitrophenolate

C8H7N2O4- — CID 7072316

IUPAC2-(methylcarbamoyl)-4-nitrophenolate
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1[O-]
InChIInChI=1S/C8H8N2O4/c1-9-8(12)6-4-5(10(13)14)2-3-7(6)11/h2-4,11H,1H3,(H,9,12)/p-1
InChIKeyXVYKHFQFHSOEHA-UHFFFAOYSA-M
MW195.15 g/mol
LogP0.03
Rot. Bonds2

About 2-(methylcarbamoyl)-4-nitrophenolate

2-(methylcarbamoyl)-4-nitrophenolate (PubChem CID 7072316) has the molecular formula C8H7N2O4- and a molecular weight of 195.15 g/mol. Its IUPAC name is 2-(methylcarbamoyl)-4-nitrophenolate.

Molecular Properties

Compound Name2-(methylcarbamoyl)-4-nitrophenolate
PubChem CID7072316
Molecular FormulaC8H7N2O4-
Molecular Weight195.15 g/mol
Exact Mass195.04
IUPAC Name2-(methylcarbamoyl)-4-nitrophenolate
SMILESCNC(=O)c1cc([N+](=O)[O-])ccc1[O-]
InChIInChI=1S/C8H8N2O4/c1-9-8(12)6-4-5(10(13)14)2-3-7(6)11/h2-4,11H,1H3,(H,9,12)/p-1
InChIKeyXVYKHFQFHSOEHA-UHFFFAOYSA-M
XLogP0.03
TPSA95.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.15
LogP ≤ 50.03
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

2-fluoro-N-methyl-5-nitrobenzamide
CID 43377394
2-(2,4-difluorophenyl)-N-methyl-5-nitrobenzamide
CID 174970161
N-methyl-3-nitronaphthalene-1-carboxamide
CID 54231146
[2-(methylcarbamoyl)-5-nitrophenyl]carbamic acid
CID 170316212
ethane;N-methyl-2-(4-methylpiperazin-1-yl)-5-nitrobenzamide
CID 145134608
2-amino-3-chloro-N-methyl-5-nitrobenzamide
CID 107199890
N-methyl-2-(3-methylpyrrolidin-1-yl)-5-nitrobenzamide
CID 86879051
2-[2-(methylcarbamoyl)phenyl]sulfanyl-5-nitrobenzoic acid
CID 2801936
4-[2-(methylcarbamoyl)-4-nitroanilino]butanoic acid
CID 122058634
N-methyl-2-[methyl(3-methylbutyl)amino]-5-nitrobenzamide
CID 87021168
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-methyl-5-nitrobenzamide
CID 87021037
2-(4-benzoylpiperazin-1-yl)-N-methyl-5-nitrobenzamide
CID 87020739

Frequently Asked Questions

What is the IUPAC name of 2-(methylcarbamoyl)-4-nitrophenolate?
The IUPAC name of 2-(methylcarbamoyl)-4-nitrophenolate (CID 7072316) is 2-(methylcarbamoyl)-4-nitrophenolate.
What is the SMILES notation for 2-(methylcarbamoyl)-4-nitrophenolate?
The canonical SMILES for 2-(methylcarbamoyl)-4-nitrophenolate is CNC(=O)c1cc([N+](=O)[O-])ccc1[O-].
What is the InChIKey of 2-(methylcarbamoyl)-4-nitrophenolate?
The InChIKey is XVYKHFQFHSOEHA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8N2O4/c1-9-8(12)6-4-5(10(13)14)2-3-7(6)11/h2-4,11H,1H3,(H,9,12)/p-1.
What are the key properties of 2-(methylcarbamoyl)-4-nitrophenolate?
2-(methylcarbamoyl)-4-nitrophenolate has a molecular weight of 195.15 g/mol, XLogP of 0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylcarbamoyl)-4-nitrophenolate is sourced from PubChem (CID 7072316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).