[ethoxy-(4-nitrophenyl)methylidene]azanium

C9H11N2O3+ — CID 140653146

IUPAC[ethoxy-(4-nitrophenyl)methylidene]azanium
SMILESCCOC(=[NH2+])c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O3/c1-2-14-9(10)7-3-5-8(6-4-7)11(12)13/h3-6,10H,2H2,1H3/p+1
InChIKeyPLJVLSYUFYDTNE-UHFFFAOYSA-O
MW195.20 g/mol
LogP0.14
Rot. Bonds3

About [ethoxy-(4-nitrophenyl)methylidene]azanium

[ethoxy-(4-nitrophenyl)methylidene]azanium (PubChem CID 140653146) has the molecular formula C9H11N2O3+ and a molecular weight of 195.20 g/mol. Its IUPAC name is [ethoxy-(4-nitrophenyl)methylidene]azanium.

Molecular Properties

Compound Name[ethoxy-(4-nitrophenyl)methylidene]azanium
PubChem CID140653146
Molecular FormulaC9H11N2O3+
Molecular Weight195.20 g/mol
Exact Mass195.08
IUPAC Name[ethoxy-(4-nitrophenyl)methylidene]azanium
SMILESCCOC(=[NH2+])c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C9H10N2O3/c1-2-14-9(10)7-3-5-8(6-4-7)11(12)13/h3-6,10H,2H2,1H3/p+1
InChIKeyPLJVLSYUFYDTNE-UHFFFAOYSA-O
XLogP0.14
TPSA77.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

N-ethoxy-1-(4-nitrophenyl)ethanimine
CID 75864218
ethyl 4-[2-(4-nitrophenyl)ethenyl]benzoate
CID 619973
(4-nitrophenyl) 4-ethoxycarbonyloxybenzoate
CID 139788596
ethyl 4-(hydroxyamino)benzoate;ethyl 4-nitrobenzoate;methane
CID 159079628
ethyl 2-(4-nitrobenzoyl)benzoate
CID 24722830
diethyl 2-[4-(4-nitrophenyl)phenyl]propanedioate
CID 59464037
ethyl (E)-2-[(4-nitrophenoxy)methyl]but-2-enoate
CID 53381796
ethyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 744546
ethyl N-[4-(4-nitrophenyl)phenyl]carbamate
CID 139700668
ethyl 3-(4-nitrophenyl)-2-oxopropanoate
CID 15716402
ethanol;1-methyl-4-nitrobenzene
CID 91088173
ethyl (E)-4-[(4-nitrobenzoyl)amino]-4-oxobut-2-enoate
CID 10924285

Frequently Asked Questions

What is the IUPAC name of [ethoxy-(4-nitrophenyl)methylidene]azanium?
The IUPAC name of [ethoxy-(4-nitrophenyl)methylidene]azanium (CID 140653146) is [ethoxy-(4-nitrophenyl)methylidene]azanium.
What is the SMILES notation for [ethoxy-(4-nitrophenyl)methylidene]azanium?
The canonical SMILES for [ethoxy-(4-nitrophenyl)methylidene]azanium is CCOC(=[NH2+])c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of [ethoxy-(4-nitrophenyl)methylidene]azanium?
The InChIKey is PLJVLSYUFYDTNE-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10N2O3/c1-2-14-9(10)7-3-5-8(6-4-7)11(12)13/h3-6,10H,2H2,1H3/p+1.
What are the key properties of [ethoxy-(4-nitrophenyl)methylidene]azanium?
[ethoxy-(4-nitrophenyl)methylidene]azanium has a molecular weight of 195.20 g/mol, XLogP of 0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy-(4-nitrophenyl)methylidene]azanium is sourced from PubChem (CID 140653146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).