2-ethylidenepropanedioic acid;prop-2-enoic acid

C8H10O6 — CID 159379532

IUPAC2-ethylidenepropanedioic acid;prop-2-enoic acid
SMILESC=CC(=O)O.CC=C(C(=O)O)C(=O)O
InChIInChI=1S/C5H6O4.C3H4O2/c1-2-3(4(6)7)5(8)9;1-2-3(4)5/h2H,1H3,(H,6,7)(H,8,9);2H,1H2,(H,4,5)
InChIKeyLKSOXVJMJZONMQ-UHFFFAOYSA-N
MW202.16 g/mol
LogP0.36
Rot. Bonds3

About 2-ethylidenepropanedioic acid;prop-2-enoic acid

2-ethylidenepropanedioic acid;prop-2-enoic acid (PubChem CID 159379532) has the molecular formula C8H10O6 and a molecular weight of 202.16 g/mol. Its IUPAC name is 2-ethylidenepropanedioic acid;prop-2-enoic acid.

Molecular Properties

Compound Name2-ethylidenepropanedioic acid;prop-2-enoic acid
PubChem CID159379532
Molecular FormulaC8H10O6
Molecular Weight202.16 g/mol
Exact Mass202.05
IUPAC Name2-ethylidenepropanedioic acid;prop-2-enoic acid
SMILESC=CC(=O)O.CC=C(C(=O)O)C(=O)O
InChIInChI=1S/C5H6O4.C3H4O2/c1-2-3(4(6)7)5(8)9;1-2-3(4)5/h2H,1H3,(H,6,7)(H,8,9);2H,1H2,(H,4,5)
InChIKeyLKSOXVJMJZONMQ-UHFFFAOYSA-N
XLogP0.36
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidenepropanedioic acid;prop-2-enoic acid?
The IUPAC name of 2-ethylidenepropanedioic acid;prop-2-enoic acid (CID 159379532) is 2-ethylidenepropanedioic acid;prop-2-enoic acid.
What is the SMILES notation for 2-ethylidenepropanedioic acid;prop-2-enoic acid?
The canonical SMILES for 2-ethylidenepropanedioic acid;prop-2-enoic acid is C=CC(=O)O.CC=C(C(=O)O)C(=O)O.
What is the InChIKey of 2-ethylidenepropanedioic acid;prop-2-enoic acid?
The InChIKey is LKSOXVJMJZONMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6O4.C3H4O2/c1-2-3(4(6)7)5(8)9;1-2-3(4)5/h2H,1H3,(H,6,7)(H,8,9);2H,1H2,(H,4,5).
What are the key properties of 2-ethylidenepropanedioic acid;prop-2-enoic acid?
2-ethylidenepropanedioic acid;prop-2-enoic acid has a molecular weight of 202.16 g/mol, XLogP of 0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidenepropanedioic acid;prop-2-enoic acid is sourced from PubChem (CID 159379532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).