(3-nitrophenyl) N-ethylcarbamate

C9H10N2O4 — CID 57143264

IUPAC(3-nitrophenyl) N-ethylcarbamate
SMILESCCNC(=O)Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O4/c1-2-10-9(12)15-8-5-3-4-7(6-8)11(13)14/h3-6H,2H2,1H3,(H,10,12)
InChIKeyQORDXYHNGOFYPB-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.70
Rot. Bonds3

About (3-nitrophenyl) N-ethylcarbamate

(3-nitrophenyl) N-ethylcarbamate (PubChem CID 57143264) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is (3-nitrophenyl) N-ethylcarbamate.

Molecular Properties

Compound Name(3-nitrophenyl) N-ethylcarbamate
PubChem CID57143264
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name(3-nitrophenyl) N-ethylcarbamate
SMILESCCNC(=O)Oc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C9H10N2O4/c1-2-10-9(12)15-8-5-3-4-7(6-8)11(13)14/h3-6H,2H2,1H3,(H,10,12)
InChIKeyQORDXYHNGOFYPB-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

ethylcarbamoyl 3-nitrobenzenesulfonate
CID 175569373
bis(3-nitrophenyl) hexanedioate
CID 139641795
(3-nitrophenyl) 3-methyl-2-nitrobenzoate
CID 7926062
(2S)-2-(3-nitrophenoxy)-N-propylpropanamide
CID 8956680
(3-nitrophenyl) 2-amino-2-oxoacetate
CID 91622405
(3-nitrophenyl) 4-fluorobenzoate
CID 4812720
4-(3-nitrophenoxy)pentan-2-one
CID 64698549
(3-nitrophenyl) 4-hexoxybenzoate
CID 23011425
tert-butyl N-[2-(3-nitrophenoxy)ethyl]carbamate
CID 21077618
O-(3-nitrophenyl) carbamothioate
CID 56992342
(3-nitrophenyl) 4-(2-methylpropoxy)benzoate
CID 23011610
2-[[2-(3-nitrophenoxy)acetyl]amino]butanoic acid
CID 43469185

Frequently Asked Questions

What is the IUPAC name of (3-nitrophenyl) N-ethylcarbamate?
The IUPAC name of (3-nitrophenyl) N-ethylcarbamate (CID 57143264) is (3-nitrophenyl) N-ethylcarbamate.
What is the SMILES notation for (3-nitrophenyl) N-ethylcarbamate?
The canonical SMILES for (3-nitrophenyl) N-ethylcarbamate is CCNC(=O)Oc1cccc([N+](=O)[O-])c1.
What is the InChIKey of (3-nitrophenyl) N-ethylcarbamate?
The InChIKey is QORDXYHNGOFYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-2-10-9(12)15-8-5-3-4-7(6-8)11(13)14/h3-6H,2H2,1H3,(H,10,12).
What are the key properties of (3-nitrophenyl) N-ethylcarbamate?
(3-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 (3-nitrophenyl) N-ethylcarbamate is sourced from PubChem (CID 57143264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).