ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate

C10H11N3O4 — CID 6899031

IUPACethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N3O4/c1-2-17-10(14)12-11-7-8-3-5-9(6-4-8)13(15)16/h3-7H,2H2,1H3,(H,12,14)/b11-7+
InChIKeyCIWVKNCZQCVDAY-YRNVUSSQSA-N
MW237.22 g/mol
LogP1.67
Rot. Bonds4

About ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate

ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate (PubChem CID 6899031) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate.

Molecular Properties

Compound Nameethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
PubChem CID6899031
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Nameethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
SMILESCCOC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H11N3O4/c1-2-17-10(14)12-11-7-8-3-5-9(6-4-8)13(15)16/h3-7H,2H2,1H3,(H,12,14)/b11-7+
InChIKeyCIWVKNCZQCVDAY-YRNVUSSQSA-N
XLogP1.67
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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

methyl N-[(Z)-(4-nitrophenyl)methylideneamino]carbamate
CID 5417428
methyl N-[(4-nitrophenyl)methylideneamino]carbamate
CID 909440
methyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate
CID 6898768
N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]oxamide
CID 6163815
ethyl 4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]benzoate
CID 90120945
4-[(E)-(ethoxycarbonylhydrazinylidene)methyl]benzoic acid
CID 6861608
ethyl N-[(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 5007900
ethyl N-[(Z)-(4-propan-2-ylphenyl)methylideneamino]carbamate
CID 6246560
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
ethyl N-[(E)-pyridin-4-ylmethylideneamino]carbamate
CID 5365476
ethyl N-[(E)-[4-(diethylamino)phenyl]methylideneamino]carbamate
CID 6861626
N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide
CID 5363154

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate?
The IUPAC name of ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate (CID 6899031) is ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate.
What is the SMILES notation for ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate?
The canonical SMILES for ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate is CCOC(=O)N/N=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate?
The InChIKey is CIWVKNCZQCVDAY-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-2-17-10(14)12-11-7-8-3-5-9(6-4-8)13(15)16/h3-7H,2H2,1H3,(H,12,14)/b11-7+.
What are the key properties of ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate?
ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate has a molecular weight of 237.22 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(E)-(4-nitrophenyl)methylideneamino]carbamate is sourced from PubChem (CID 6899031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).