(4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate

C11H7N3O6 — CID 123583999

IUPAC(4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate
SMILESO=C(NN1C(=O)C=CC1=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H7N3O6/c15-9-5-6-10(16)13(9)12-11(17)20-8-3-1-7(2-4-8)14(18)19/h1-6H,(H,12,17)
InChIKeySMSIJNLUJNGXSG-UHFFFAOYSA-N
MW277.19 g/mol
LogP0.52
Rot. Bonds3

About (4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate

(4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate (PubChem CID 123583999) has the molecular formula C11H7N3O6 and a molecular weight of 277.19 g/mol. Its IUPAC name is (4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate
PubChem CID123583999
Molecular FormulaC11H7N3O6
Molecular Weight277.19 g/mol
Exact Mass277.03
IUPAC Name(4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate
SMILESO=C(NN1C(=O)C=CC1=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H7N3O6/c15-9-5-6-10(16)13(9)12-11(17)20-8-3-1-7(2-4-8)14(18)19/h1-6H,(H,12,17)
InChIKeySMSIJNLUJNGXSG-UHFFFAOYSA-N
XLogP0.52
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.19
LogP ≤ 50.52
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(4-nitrophenyl) N-chlorosulfonylcarbamate
CID 13382505
(4-nitrophenyl) N-[[4-[[(4-nitrophenoxy)carbonylamino]methyl]phenyl]methyl]carbamate
CID 57126958
sodium (4-nitrophenyl) carbonate
CID 172808838
(4-nitrophenyl) N-pyridin-4-ylcarbamate
CID 10355188
3-(4-nitrophenoxy)-3-oxopropanoic acid
CID 14314981
bis(4-nitrophenyl) carbonate;propanedioic acid
CID 87576808
(4-nitrophenyl) N-(1,1,1-trifluoro-2-methylpropan-2-yl)carbamate
CID 66584101
(4-nitrophenyl) N-pyrimidin-5-ylcarbamate
CID 59536323
(4-nitrophenyl) N-(2-methylsulfanylethyl)carbamate
CID 86123043
carbonochloridic acid;(4-nitrophenyl) carbonochloridate
CID 86696914
carbonic acid;(4-nitrophenyl) carbonochloridate
CID 87131285
acetic acid;(4-nitrophenyl) hydrogen carbonate
CID 175389451

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate?
The IUPAC name of (4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate (CID 123583999) is (4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate.
What is the SMILES notation for (4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate?
The canonical SMILES for (4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate is O=C(NN1C(=O)C=CC1=O)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate?
The InChIKey is SMSIJNLUJNGXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O6/c15-9-5-6-10(16)13(9)12-11(17)20-8-3-1-7(2-4-8)14(18)19/h1-6H,(H,12,17).
What are the key properties of (4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate?
(4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate has a molecular weight of 277.19 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-(2,5-dioxopyrrol-1-yl)carbamate is sourced from PubChem (CID 123583999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).