(4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide

C7H8NO3- — CID 72557821

IUPAC(4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide
SMILESCCOC(=O)C(=O)C(C)=C=[N-]
InChIInChI=1S/C7H8NO3/c1-3-11-7(10)6(9)5(2)4-8/h3H2,1-2H3/q-1
InChIKeyGNTYOZUCPGSZKY-UHFFFAOYSA-N
MW154.14 g/mol
LogP0.30
Rot. Bonds3

About (4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide

(4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide (PubChem CID 72557821) has the molecular formula C7H8NO3- and a molecular weight of 154.14 g/mol. Its IUPAC name is (4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide.

Molecular Properties

Compound Name(4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide
PubChem CID72557821
Molecular FormulaC7H8NO3-
Molecular Weight154.14 g/mol
Exact Mass154.05
IUPAC Name(4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide
SMILESCCOC(=O)C(=O)C(C)=C=[N-]
InChIInChI=1S/C7H8NO3/c1-3-11-7(10)6(9)5(2)4-8/h3H2,1-2H3/q-1
InChIKeyGNTYOZUCPGSZKY-UHFFFAOYSA-N
XLogP0.30
TPSA65.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.14
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide 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

ethyl 2-methyl-3-oxoprop-2-enoate
CID 15062324
ethyl 2-oxo(213C)propanoate
CID 71309469
ethyl 3-chloro-2,3-dioxopropanoate
CID 15149748
1-O-ethyl 3-O-methyl 2-oxopropanedioate
CID 547672
CID 159370772
CID 159370772
diethyl oxalate;ethyl acetate
CID 160900883
CID 159689459
CID 159689459
3-azanidylidene-2-ethoxycarbonylprop-2-enedithioate
CID 1272778
ethyl 2-methylprop-2-enoate
CID 130475774
diethyl 2-ethylidene-3-oxobutanedioate
CID 123295779
ethyl 2,3-difluorobut-2-enoate
CID 73190120
sodium ethyl 2-methylprop-2-enoate
CID 23346885

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide?
The IUPAC name of (4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide (CID 72557821) is (4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide.
What is the SMILES notation for (4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide?
The canonical SMILES for (4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide is CCOC(=O)C(=O)C(C)=C=[N-].
What is the InChIKey of (4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide?
The InChIKey is GNTYOZUCPGSZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8NO3/c1-3-11-7(10)6(9)5(2)4-8/h3H2,1-2H3/q-1.
What are the key properties of (4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide?
(4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide has a molecular weight of 154.14 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-2-methyl-3,4-dioxobut-1-enylidene)azanide is sourced from PubChem (CID 72557821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).