but-2-enamide;but-2-enedioic acid

C8H11NO5 — CID 159670404

IUPACbut-2-enamide;but-2-enedioic acid
SMILESCC=CC(N)=O.O=C(O)C=CC(=O)O
InChIInChI=1S/C4H7NO.C4H4O4/c1-2-3-4(5)6;5-3(6)1-2-4(7)8/h2-3H,1H3,(H2,5,6);1-2H,(H,5,6)(H,7,8)
InChIKeyMTXUEBZDKXNKSB-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.24
Rot. Bonds3

About but-2-enamide;but-2-enedioic acid

but-2-enamide;but-2-enedioic acid (PubChem CID 159670404) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is but-2-enamide;but-2-enedioic acid.

Molecular Properties

Compound Namebut-2-enamide;but-2-enedioic acid
PubChem CID159670404
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Namebut-2-enamide;but-2-enedioic acid
SMILESCC=CC(N)=O.O=C(O)C=CC(=O)O
InChIInChI=1S/C4H7NO.C4H4O4/c1-2-3-4(5)6;5-3(6)1-2-4(7)8/h2-3H,1H3,(H2,5,6);1-2H,(H,5,6)(H,7,8)
InChIKeyMTXUEBZDKXNKSB-UHFFFAOYSA-N
XLogP-0.24
TPSA117.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze but-2-enamide;but-2-enedioic acid 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

(E)-but-2-enamide;ethane
CID 145356551
(Z)-but-2-enamide;(E)-but-2-enamide;methane
CID 163931576
4-amino-4-oxobut-2-enoic acid;azane
CID 173246306
(Z)-4-amino-4-oxobut-2-enoic acid;hydrate
CID 88673032
(E)-but-2-enoic acid
CID 637090
4-oxohepta-2,5-dienoic acid
CID 54093333
(Z)-but-2-enoic acid;yttrium
CID 58782397
(Z)-but-2-ene;(Z)-but-2-enoic acid
CID 158994925
4-amino-4-oxobut-2-enoic acid;buta-1,3-diene
CID 173116521
but-2-enoic acid;phosphane;hydrate
CID 161337391
barium(2+);but-2-enoic acid;hydride
CID 173455030
(Z)-4-amino-4-oxobut-2-enoic acid;2-hydroperoxy-2-methylpropane
CID 162190186

Frequently Asked Questions

What is the IUPAC name of but-2-enamide;but-2-enedioic acid?
The IUPAC name of but-2-enamide;but-2-enedioic acid (CID 159670404) is but-2-enamide;but-2-enedioic acid.
What is the SMILES notation for but-2-enamide;but-2-enedioic acid?
The canonical SMILES for but-2-enamide;but-2-enedioic acid is CC=CC(N)=O.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enamide;but-2-enedioic acid?
The InChIKey is MTXUEBZDKXNKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.C4H4O4/c1-2-3-4(5)6;5-3(6)1-2-4(7)8/h2-3H,1H3,(H2,5,6);1-2H,(H,5,6)(H,7,8).
What are the key properties of but-2-enamide;but-2-enedioic acid?
but-2-enamide;but-2-enedioic acid has a molecular weight of 201.18 g/mol, XLogP of -0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enamide;but-2-enedioic acid is sourced from PubChem (CID 159670404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).