N-ethoxy-1-(4-nitrophenyl)ethanimine

C10H12N2O3 — CID 75864218

IUPACN-ethoxy-1-(4-nitrophenyl)ethanimine
SMILESCCON=C(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H12N2O3/c1-3-15-11-8(2)9-4-6-10(7-5-9)12(13)14/h4-7H,3H2,1-2H3
InChIKeyHHSBAJOSVSLKFD-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.36
Rot. Bonds4

About N-ethoxy-1-(4-nitrophenyl)ethanimine

N-ethoxy-1-(4-nitrophenyl)ethanimine (PubChem CID 75864218) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is N-ethoxy-1-(4-nitrophenyl)ethanimine.

Molecular Properties

Compound NameN-ethoxy-1-(4-nitrophenyl)ethanimine
PubChem CID75864218
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC NameN-ethoxy-1-(4-nitrophenyl)ethanimine
SMILESCCON=C(C)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C10H12N2O3/c1-3-15-11-8(2)9-4-6-10(7-5-9)12(13)14/h4-7H,3H2,1-2H3
InChIKeyHHSBAJOSVSLKFD-UHFFFAOYSA-N
XLogP2.36
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

[ethoxy-(4-nitrophenyl)methylidene]azanium
CID 140653146
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
(E)-N-[tert-butyl(dimethyl)silyl]oxy-1-(4-nitrophenyl)ethanimine
CID 15311369
(Z)-N-ethoxy-1-(4-methoxyphenyl)ethanimine
CID 142977776
1-(4-nitrophenyl)ethylidenethiourea
CID 174528048
(Z)-1-(4-chlorophenyl)-N-(3,5-dinitrophenoxy)ethanimine
CID 23584012
2-(4-nitrophenoxy)-N-[1-(4-nitrophenyl)ethylideneamino]acetamide
CID 3480695
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]nonanediamide
CID 4631339
4-chloro-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]benzamide
CID 5396833
N,N'-bis[1-(4-nitrophenyl)ethylideneamino]decanediamide
CID 4631654
[N-ethyl-C-(4-nitrophenyl)carbonimidoyl] acetate
CID 102270130
(E)-N-(4-nitrophenoxy)butan-2-imine
CID 11333252

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-1-(4-nitrophenyl)ethanimine?
The IUPAC name of N-ethoxy-1-(4-nitrophenyl)ethanimine (CID 75864218) is N-ethoxy-1-(4-nitrophenyl)ethanimine.
What is the SMILES notation for N-ethoxy-1-(4-nitrophenyl)ethanimine?
The canonical SMILES for N-ethoxy-1-(4-nitrophenyl)ethanimine is CCON=C(C)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-ethoxy-1-(4-nitrophenyl)ethanimine?
The InChIKey is HHSBAJOSVSLKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-3-15-11-8(2)9-4-6-10(7-5-9)12(13)14/h4-7H,3H2,1-2H3.
What are the key properties of N-ethoxy-1-(4-nitrophenyl)ethanimine?
N-ethoxy-1-(4-nitrophenyl)ethanimine has a molecular weight of 208.22 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-1-(4-nitrophenyl)ethanimine is sourced from PubChem (CID 75864218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).