(4-nitrophenyl) N-ethylcarbamate

C9H10N2O4 — CID 28603

IUPAC(4-nitrophenyl) N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O4/c1-2-10-9(12)15-8-5-3-7(4-6-8)11(13)14/h3-6H,2H2,1H3,(H,10,12)
InChIKeyQVUXGCDXMKCVSB-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.70
Rot. Bonds3

About (4-nitrophenyl) N-ethylcarbamate

(4-nitrophenyl) N-ethylcarbamate (PubChem CID 28603) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is (4-nitrophenyl) N-ethylcarbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-ethylcarbamate
PubChem CID28603
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name(4-nitrophenyl) N-ethylcarbamate
SMILESCCNC(=O)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O4/c1-2-10-9(12)15-8-5-3-7(4-6-8)11(13)14/h3-6H,2H2,1H3,(H,10,12)
InChIKeyQVUXGCDXMKCVSB-UHFFFAOYSA-N
XLogP1.70
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.70
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

Carbamic acid, N-methyl-, 4-nitrophenyl ester
CID 79892
Carbamic acid, N-methyl-, 3-nitrophenyl ester
CID 80215
Phenyl 4-nitrophenylcarbamate
CID 11322856
Carbamic acid, N,N-dimethyl-, 4-nitrophenyl ester
CID 81656
[1,4'] Bipiperidinyl-1'-carboxylic acid 4-nitrophenylester
CID 5459455
4-Nitrophenyl [4-[(1,1-dimethylethoxy)imino]cyclohexyl]carbamate
CID 86680821
2-Nitrophenyl N-methylcarbamate
CID 23840
Carbamic acid, (2-chloroethyl)nitroso-, 4-nitrophenyl ester
CID 41505
5-[(4-Nitrophenoxy)methyl]-1,3-oxazolidin-2-one
CID 340061
4-Nitrophenyl methylphenylcarbamic acid
CID 39556
Carbamic acid, dimethyl-, 3-nitrophenyl ester
CID 23729
2-Nitrophenyl dimethylcarbamate
CID 76901

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-ethylcarbamate?
The IUPAC name of (4-nitrophenyl) N-ethylcarbamate (CID 28603) is (4-nitrophenyl) N-ethylcarbamate.
What is the SMILES notation for (4-nitrophenyl) N-ethylcarbamate?
The canonical SMILES for (4-nitrophenyl) N-ethylcarbamate is CCNC(=O)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-ethylcarbamate?
The InChIKey is QVUXGCDXMKCVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-2-10-9(12)15-8-5-3-7(4-6-8)11(13)14/h3-6H,2H2,1H3,(H,10,12).
What are the key properties of (4-nitrophenyl) N-ethylcarbamate?
(4-nitrophenyl) N-ethylcarbamate has a molecular weight of 210.19 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl) N-ethylcarbamate is sourced from PubChem (CID 28603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).