(2-nitrophenyl) N-methylcarbamate

C8H8N2O4 — CID 23840

IUPAC(2-nitrophenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O4/c1-9-8(11)14-7-5-3-2-4-6(7)10(12)13/h2-5H,1H3,(H,9,11)
InChIKeyWROWUHCAAFNMJL-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.31
Rot. Bonds2

About (2-nitrophenyl) N-methylcarbamate

(2-nitrophenyl) N-methylcarbamate (PubChem CID 23840) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is (2-nitrophenyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-nitrophenyl) N-methylcarbamate
PubChem CID23840
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name(2-nitrophenyl) N-methylcarbamate
SMILESCNC(=O)Oc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C8H8N2O4/c1-9-8(11)14-7-5-3-2-4-6(7)10(12)13/h2-5H,1H3,(H,9,11)
InChIKeyWROWUHCAAFNMJL-UHFFFAOYSA-N
XLogP1.31
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.31
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

Acetic acid, 2-nitrophenyl ester
CID 11890
Carbamic acid, N-methyl-, 4-nitrophenyl ester
CID 79892
Carbamic acid, N-methyl-, 3-nitrophenyl ester
CID 80215
Carbamic acid, N,N-dimethyl-, 4-nitrophenyl ester
CID 81656
4-Nitrophenyl ethylcarbamate
CID 28603
Carbamic acid, (4-methoxy-3-nitrophenyl)-, ethyl ester
CID 2306918
Carbamic acid, dimethyl-, 3-nitrophenyl ester
CID 23729
2-Nitrophenyl dimethylcarbamate
CID 76901
2-Nitrophenyl chloroformate
CID 3414364
4-nitrophenyl N-butylcarbamate
CID 3017401
n-Hexylcarbamic acid 4-nitrophenyl ester
CID 10084259
Carbanilic acid, o-hydroxy-, methyl ester, methylcarbamate
CID 42013

Frequently Asked Questions

What is the IUPAC name of (2-nitrophenyl) N-methylcarbamate?
The IUPAC name of (2-nitrophenyl) N-methylcarbamate (CID 23840) is (2-nitrophenyl) N-methylcarbamate.
What is the SMILES notation for (2-nitrophenyl) N-methylcarbamate?
The canonical SMILES for (2-nitrophenyl) N-methylcarbamate is CNC(=O)Oc1ccccc1[N+](=O)[O-].
What is the InChIKey of (2-nitrophenyl) N-methylcarbamate?
The InChIKey is WROWUHCAAFNMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-9-8(11)14-7-5-3-2-4-6(7)10(12)13/h2-5H,1H3,(H,9,11).
What are the key properties of (2-nitrophenyl) N-methylcarbamate?
(2-nitrophenyl) N-methylcarbamate has a molecular weight of 196.16 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitrophenyl) N-methylcarbamate is sourced from PubChem (CID 23840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).