(4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate

C10H10N2O6 — CID 12982513

IUPAC(4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate
SMILESCOC(=O)N(C)C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O6/c1-11(9(13)17-2)10(14)18-8-5-3-7(4-6-8)12(15)16/h3-6H,1-2H3
InChIKeyNRORMAYFTZUTMB-UHFFFAOYSA-N
MW254.20 g/mol
LogP1.79
Rot. Bonds2

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

(4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate (PubChem CID 12982513) has the molecular formula C10H10N2O6 and a molecular weight of 254.20 g/mol. Its IUPAC name is (4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate
PubChem CID12982513
Molecular FormulaC10H10N2O6
Molecular Weight254.20 g/mol
Exact Mass254.05
IUPAC Name(4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate
SMILESCOC(=O)N(C)C(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H10N2O6/c1-11(9(13)17-2)10(14)18-8-5-3-7(4-6-8)12(15)16/h3-6H,1-2H3
InChIKeyNRORMAYFTZUTMB-UHFFFAOYSA-N
XLogP1.79
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

(4-nitrophenyl) N-hydroxy-N-methylcarbamate
CID 23248303
3-(4-nitrophenoxy)-3-oxopropanoic acid
CID 14314981
bis(4-nitrophenyl) carbonate;propanedioic acid
CID 87576808
acetic acid;(4-nitrophenyl) hydrogen carbonate
CID 175389451
(4-nitrophenyl) N,N-bis(cyanomethyl)carbamate
CID 59291922
sodium (4-nitrophenyl) carbonate
CID 172808838
dimethyl (E)-2-(4-nitrophenoxy)but-2-enedioate
CID 15225348
(4-nitrophenyl) N-anilino-N-phenylcarbamate
CID 91700020
methyl N-tert-butyl-N-(4-nitrophenyl)carbamate
CID 121230079
(4-methoxyphenyl) 3-(4-nitrophenyl)prop-2-ynoate
CID 154710639
(4-nitrophenyl) N-(2-methylsulfanylethyl)carbamate
CID 86123043
carbonochloridic acid;(4-nitrophenyl) carbonochloridate
CID 86696914

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate?
The IUPAC name of (4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate (CID 12982513) is (4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate.
What is the SMILES notation for (4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate?
The canonical SMILES for (4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate is COC(=O)N(C)C(=O)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate?
The InChIKey is NRORMAYFTZUTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O6/c1-11(9(13)17-2)10(14)18-8-5-3-7(4-6-8)12(15)16/h3-6H,1-2H3.
What are the key properties of (4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate?
(4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate has a molecular weight of 254.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-methoxycarbonyl-N-methylcarbamate is sourced from PubChem (CID 12982513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).