(E)-2,3-bis(prop-2-enyl)but-2-enedioic acid

C10H12O4 — CID 87162043

IUPAC(E)-2,3-bis(prop-2-enyl)but-2-enedioic acid
SMILESC=CC/C(C(=O)O)=C(/CC=C)C(=O)O
InChIInChI=1S/C10H12O4/c1-3-5-7(9(11)12)8(6-4-2)10(13)14/h3-4H,1-2,5-6H2,(H,11,12)(H,13,14)/b8-7+
InChIKeyGYKADMDAFXNZNR-BQYQJAHWSA-N
MW196.20 g/mol
LogP1.60
Rot. Bonds6

About (E)-2,3-bis(prop-2-enyl)but-2-enedioic acid

(E)-2,3-bis(prop-2-enyl)but-2-enedioic acid (PubChem CID 87162043) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is (E)-2,3-bis(prop-2-enyl)but-2-enedioic acid.

Molecular Properties

Compound Name(E)-2,3-bis(prop-2-enyl)but-2-enedioic acid
PubChem CID87162043
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name(E)-2,3-bis(prop-2-enyl)but-2-enedioic acid
SMILESC=CC/C(C(=O)O)=C(/CC=C)C(=O)O
InChIInChI=1S/C10H12O4/c1-3-5-7(9(11)12)8(6-4-2)10(13)14/h3-4H,1-2,5-6H2,(H,11,12)(H,13,14)/b8-7+
InChIKeyGYKADMDAFXNZNR-BQYQJAHWSA-N
XLogP1.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2,3-bis(prop-2-enyl)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

3-amino-2-prop-2-enylhexa-2,5-dienoic acid
CID 87149470
(2Z)-3-prop-2-enoxycarbonyl-2-prop-2-enylhexa-2,5-dienoic acid
CID 67788544
bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid
CID 119024225
2-[hydroperoxy(hydroxy)methylidene]pent-4-enoic acid
CID 173434225
2-(1-fluoroethylidene)pent-4-enoic acid
CID 87744885
2-pentyl-3-prop-2-enylbut-2-enedioic acid
CID 173366116
2-(3-ethylsulfanylpropyl)-3-prop-2-enylbut-2-enedioic acid
CID 54287135
3-[2-(dimethylamino)ethyl]-2-prop-2-enylpenta-2,4-dienoic acid
CID 174755291
ethene;2-methylidenepent-4-enoic acid
CID 174232070
carbonic acid;4-methylidenehepta-1,6-diene
CID 88505176
carbonic acid;4,5-dichloroocta-1,4,7-triene
CID 173029728
but-3-enoic acid;dichloromethane
CID 174886985

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-bis(prop-2-enyl)but-2-enedioic acid?
The IUPAC name of (E)-2,3-bis(prop-2-enyl)but-2-enedioic acid (CID 87162043) is (E)-2,3-bis(prop-2-enyl)but-2-enedioic acid.
What is the SMILES notation for (E)-2,3-bis(prop-2-enyl)but-2-enedioic acid?
The canonical SMILES for (E)-2,3-bis(prop-2-enyl)but-2-enedioic acid is C=CC/C(C(=O)O)=C(/CC=C)C(=O)O.
What is the InChIKey of (E)-2,3-bis(prop-2-enyl)but-2-enedioic acid?
The InChIKey is GYKADMDAFXNZNR-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H12O4/c1-3-5-7(9(11)12)8(6-4-2)10(13)14/h3-4H,1-2,5-6H2,(H,11,12)(H,13,14)/b8-7+.
What are the key properties of (E)-2,3-bis(prop-2-enyl)but-2-enedioic acid?
(E)-2,3-bis(prop-2-enyl)but-2-enedioic acid has a molecular weight of 196.20 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-bis(prop-2-enyl)but-2-enedioic acid is sourced from PubChem (CID 87162043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).