(4-nitrophenyl) N-hydroxy-N-methylcarbamate

C8H8N2O5 — CID 23248303

IUPAC(4-nitrophenyl) N-hydroxy-N-methylcarbamate
SMILESCN(O)C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8N2O5/c1-9(12)8(11)15-7-4-2-6(3-5-7)10(13)14/h2-5,12H,1H3
InChIKeyCSMRAWQVJXMQTG-UHFFFAOYSA-N
MW212.16 g/mol
LogP1.41
Rot. Bonds2

About (4-nitrophenyl) N-hydroxy-N-methylcarbamate

(4-nitrophenyl) N-hydroxy-N-methylcarbamate (PubChem CID 23248303) has the molecular formula C8H8N2O5 and a molecular weight of 212.16 g/mol. Its IUPAC name is (4-nitrophenyl) N-hydroxy-N-methylcarbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-hydroxy-N-methylcarbamate
PubChem CID23248303
Molecular FormulaC8H8N2O5
Molecular Weight212.16 g/mol
Exact Mass212.04
IUPAC Name(4-nitrophenyl) N-hydroxy-N-methylcarbamate
SMILESCN(O)C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H8N2O5/c1-9(12)8(11)15-7-4-2-6(3-5-7)10(13)14/h2-5,12H,1H3
InChIKeyCSMRAWQVJXMQTG-UHFFFAOYSA-N
XLogP1.41
TPSA92.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate
CID 12982513
acetic acid;(4-nitrophenyl) hydrogen carbonate
CID 175389451
(4-nitrophenyl) N,N-bis(cyanomethyl)carbamate
CID 59291922
sodium (4-nitrophenyl) carbonate
CID 172808838
carbonic acid;(4-nitrophenyl) carbonochloridate
CID 87131285
carbonochloridic acid;(4-nitrophenyl) carbonochloridate
CID 86696914
sodium;hydrogen carbonate;(4-nitrophenyl) hydrogen carbonate
CID 67826864
trisodium;(4-nitrophenyl) acetate;phosphate
CID 175833825
2-(diethylamino)ethyl (4-nitrophenyl) carbonate
CID 23330309
CID 174317395
CID 174317395
N,N-bis[(4-nitrophenoxy)methyl]acetamide
CID 4167536
tert-butyl (4-nitrophenyl) carbonate;ethane
CID 143603292

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-hydroxy-N-methylcarbamate?
The IUPAC name of (4-nitrophenyl) N-hydroxy-N-methylcarbamate (CID 23248303) is (4-nitrophenyl) N-hydroxy-N-methylcarbamate.
What is the SMILES notation for (4-nitrophenyl) N-hydroxy-N-methylcarbamate?
The canonical SMILES for (4-nitrophenyl) N-hydroxy-N-methylcarbamate is CN(O)C(=O)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-hydroxy-N-methylcarbamate?
The InChIKey is CSMRAWQVJXMQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O5/c1-9(12)8(11)15-7-4-2-6(3-5-7)10(13)14/h2-5,12H,1H3.
What are the key properties of (4-nitrophenyl) N-hydroxy-N-methylcarbamate?
(4-nitrophenyl) N-hydroxy-N-methylcarbamate has a molecular weight of 212.16 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-hydroxy-N-methylcarbamate is sourced from PubChem (CID 23248303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).