(Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid

C11H10O5 — CID 690378

IUPAC(Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid
SMILESCC(=C/C(=O)O)/C(=C/c1ccco1)C(=O)O
InChIInChI=1S/C11H10O5/c1-7(5-10(12)13)9(11(14)15)6-8-3-2-4-16-8/h2-6H,1H3,(H,12,13)(H,14,15)/b7-5-,9-6-
InChIKeyGMACEYJBIPRXGU-BSIYMUDXSA-N
MW222.20 g/mol
LogP1.78
Rot. Bonds4

About (Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid

(Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid (PubChem CID 690378) has the molecular formula C11H10O5 and a molecular weight of 222.20 g/mol. Its IUPAC name is (Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid.

Molecular Properties

Compound Name(Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid
PubChem CID690378
Molecular FormulaC11H10O5
Molecular Weight222.20 g/mol
Exact Mass222.05
IUPAC Name(Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid
SMILESCC(=C/C(=O)O)/C(=C/c1ccco1)C(=O)O
InChIInChI=1S/C11H10O5/c1-7(5-10(12)13)9(11(14)15)6-8-3-2-4-16-8/h2-6H,1H3,(H,12,13)(H,14,15)/b7-5-,9-6-
InChIKeyGMACEYJBIPRXGU-BSIYMUDXSA-N
XLogP1.78
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2Z)-2-(furan-2-ylmethylidene)-3-oxobutanoic acid
CID 18595236
(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid
CID 774945
methyl (2E,4E)-2-acetyl-5-(furan-2-yl)-4-methylpenta-2,4-dienoate
CID 5363486
(E,4Z)-3-methyl-4-(pyridin-4-ylmethylidene)pent-2-enedioic acid
CID 2249506
(Z)-2-carbamothioyl-3-(furan-2-yl)prop-2-enamide
CID 946135
(E)-1-diazo-4-(furan-2-yl)-3-methylbut-3-en-2-one
CID 135949130
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
[(1Z,3E)-1-chloro-4-(furan-2-yl)-3-methylbuta-1,3-dienyl] acetate
CID 42612904
formaldehyde;furan-2-carbaldehyde;propan-2-one
CID 159909330
(Z)-2-bromo-3-(furan-2-yl)prop-2-enal
CID 14939228
(2E)-2-(furan-2-ylmethylidene)butanal
CID 6435826
2-[3-(furan-2-yl)-2-methylprop-2-enoyl]oxybenzoic acid
CID 67755657

Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid?
The IUPAC name of (Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid (CID 690378) is (Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid.
What is the SMILES notation for (Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid?
The canonical SMILES for (Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid is CC(=C/C(=O)O)/C(=C/c1ccco1)C(=O)O.
What is the InChIKey of (Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid?
The InChIKey is GMACEYJBIPRXGU-BSIYMUDXSA-N. The full InChI is InChI=1S/C11H10O5/c1-7(5-10(12)13)9(11(14)15)6-8-3-2-4-16-8/h2-6H,1H3,(H,12,13)(H,14,15)/b7-5-,9-6-.
What are the key properties of (Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid?
(Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid has a molecular weight of 222.20 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid is sourced from PubChem (CID 690378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).