(2-ethoxy-2-oxoethyl)-ethylideneazanium

C6H12NO2+ — CID 177019646

IUPAC(2-ethoxy-2-oxoethyl)-ethylideneazanium
SMILESC/C=[NH+]/CC(=O)OCC
InChIInChI=1S/C6H11NO2/c1-3-7-5-6(8)9-4-2/h3H,4-5H2,1-2H3/p+1/b7-3+
InChIKeyWJDUAWSLMLZAQI-XVNBXDOJSA-O
MW130.17 g/mol
LogP-1.28
Rot. Bonds3

About (2-ethoxy-2-oxoethyl)-ethylideneazanium

(2-ethoxy-2-oxoethyl)-ethylideneazanium (PubChem CID 177019646) has the molecular formula C6H12NO2+ and a molecular weight of 130.17 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)-ethylideneazanium.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)-ethylideneazanium
PubChem CID177019646
Molecular FormulaC6H12NO2+
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name(2-ethoxy-2-oxoethyl)-ethylideneazanium
SMILESC/C=[NH+]/CC(=O)OCC
InChIInChI=1S/C6H11NO2/c1-3-7-5-6(8)9-4-2/h3H,4-5H2,1-2H3/p+1/b7-3+
InChIKeyWJDUAWSLMLZAQI-XVNBXDOJSA-O
XLogP-1.28
TPSA40.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-ethoxy-2-oxoethyl)-ethylideneazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl[(1-ethoxyethylidene)amino]acetate
CID 10986527
(2-Ethoxy-2-oxoethylidene)-methylazanium
CID 164670851
Ethyl 2-[(1-methoxyethylidene) amino]acetate
CID 132281819
Ethyl alpha-ethoxyethylideneaminoacetate
CID 368175
(2-Methoxy-2-oxoethyl)-methylideneazanium
CID 20726648
Ethyl 2-(ethylideneamino)acetate
CID 54433510
Methyl 2-(ethylideneamino)acetate
CID 54472007
Ethyl 2-(2-oxoethylideneamino)acetate
CID 89113459
2-Aminoethyl 2-(ethylideneamino)acetate
CID 91264686
3-Methyliminopropyl 2-aminoacetate
CID 126663277
Ethane;methyl 2-(ethylideneamino)acetate
CID 142100643
2-(Ethylideneamino)ethyl acetate;methanimine;vanadium
CID 145312862

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)-ethylideneazanium?
The IUPAC name of (2-ethoxy-2-oxoethyl)-ethylideneazanium (CID 177019646) is (2-ethoxy-2-oxoethyl)-ethylideneazanium.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)-ethylideneazanium?
The canonical SMILES for (2-ethoxy-2-oxoethyl)-ethylideneazanium is C/C=[NH+]/CC(=O)OCC.
What is the InChIKey of (2-ethoxy-2-oxoethyl)-ethylideneazanium?
The InChIKey is WJDUAWSLMLZAQI-XVNBXDOJSA-O. The full InChI is InChI=1S/C6H11NO2/c1-3-7-5-6(8)9-4-2/h3H,4-5H2,1-2H3/p+1/b7-3+.
What are the key properties of (2-ethoxy-2-oxoethyl)-ethylideneazanium?
(2-ethoxy-2-oxoethyl)-ethylideneazanium has a molecular weight of 130.17 g/mol, XLogP of -1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)-ethylideneazanium is sourced from PubChem (CID 177019646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).