methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate

C7H9NO3 — CID 15562430

IUPACmethyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/C(N)=O
InChIInChI=1S/C7H9NO3/c1-11-7(10)5-3-2-4-6(8)9/h2-5H,1H3,(H2,8,9)/b4-2+,5-3+
InChIKeyGNICHLAFHUEBHR-ZUVMSYQZSA-N
MW155.15 g/mol
LogP-0.24
Rot. Bonds3

About methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate

methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate (PubChem CID 15562430) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate.

Molecular Properties

Compound Namemethyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate
PubChem CID15562430
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namemethyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate
SMILESCOC(=O)/C=C/C=C/C(N)=O
InChIInChI=1S/C7H9NO3/c1-11-7(10)5-3-2-4-6(8)9/h2-5H,1H3,(H2,8,9)/b4-2+,5-3+
InChIKeyGNICHLAFHUEBHR-ZUVMSYQZSA-N
XLogP-0.24
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate 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

dimethyl octa-2,4,6-trienedioate
CID 5250542
methyl (2E,4E)-6-oxohepta-2,4-dienoate
CID 13383933
6-O-ethyl 1-O-methyl (2E,4E)-hexa-2,4-dienedioate
CID 87458458
potassium;hydride;methyl (2E,4E)-hexa-2,4-dienoate
CID 173249378
CID 160615105
CID 160615105
methyl 5-(dimethylamino)penta-2,4-dienoate
CID 85176290
methyl but-2-enoate;hydrochloride
CID 174681562
methyl (2Z)-5-methylhexa-2,4-dienoate
CID 23246793
methyl (2E,4E,6E,8E)-10-hydroxydeca-2,4,6,8-tetraenoate
CID 177407003
methyl (2E,4E,6E)-6-methyldeca-2,4,6-trienoate
CID 132574733
(2E,4E)-hexa-2,4-dienamide;phosphane
CID 175915492
(2Z,4E)-1-hydroxy-6-methoxy-1,6-dioxohexa-2,4-dien-2-olate
CID 122706191

Frequently Asked Questions

What is the IUPAC name of methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate?
The IUPAC name of methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate (CID 15562430) is methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate.
What is the SMILES notation for methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate?
The canonical SMILES for methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate is COC(=O)/C=C/C=C/C(N)=O.
What is the InChIKey of methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate?
The InChIKey is GNICHLAFHUEBHR-ZUVMSYQZSA-N. The full InChI is InChI=1S/C7H9NO3/c1-11-7(10)5-3-2-4-6(8)9/h2-5H,1H3,(H2,8,9)/b4-2+,5-3+.
What are the key properties of methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate?
methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate has a molecular weight of 155.15 g/mol, XLogP of -0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,4E)-6-amino-6-oxohexa-2,4-dienoate is sourced from PubChem (CID 15562430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).