(Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid

C15H12O5 — CID 149365337

IUPAC(Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid
SMILESO=C(O)C/C(=C/c1ccco1)C(=O)/C=C\c1ccco1
InChIInChI=1S/C15H12O5/c16-14(6-5-12-3-1-7-19-12)11(10-15(17)18)9-13-4-2-8-20-13/h1-9H,10H2,(H,17,18)/b6-5-,11-9-
InChIKeyYISSIOHJGQLAPK-AZFXQDNWSA-N
MW272.26 g/mol
LogP3.01
Rot. Bonds6

About (Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid

(Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid (PubChem CID 149365337) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is (Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid.

Molecular Properties

Compound Name(Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid
PubChem CID149365337
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name(Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid
SMILESO=C(O)C/C(=C/c1ccco1)C(=O)/C=C\c1ccco1
InChIInChI=1S/C15H12O5/c16-14(6-5-12-3-1-7-19-12)11(10-15(17)18)9-13-4-2-8-20-13/h1-9H,10H2,(H,17,18)/b6-5-,11-9-
InChIKeyYISSIOHJGQLAPK-AZFXQDNWSA-N
XLogP3.01
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione
CID 121298354
3-ethoxycarbonyl-4-(furan-2-yl)but-3-enoic acid
CID 71362609
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]pentanoic acid
CID 62033778
CID 59090942
CID 59090942
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
(E)-1-amino-4-(furan-2-yl)but-3-en-2-one
CID 82502541
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(E)-3-(furan-2-yl)-N-(3-hydroxypropyl)prop-2-enamide
CID 43389898
(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
CID 92904073
(1E)-1-(furan-2-yl)-4-methylhexa-1,4,5-trien-3-one
CID 102297621

Frequently Asked Questions

What is the IUPAC name of (Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid?
The IUPAC name of (Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid (CID 149365337) is (Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid.
What is the SMILES notation for (Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid?
The canonical SMILES for (Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid is O=C(O)C/C(=C/c1ccco1)C(=O)/C=C\c1ccco1.
What is the InChIKey of (Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid?
The InChIKey is YISSIOHJGQLAPK-AZFXQDNWSA-N. The full InChI is InChI=1S/C15H12O5/c16-14(6-5-12-3-1-7-19-12)11(10-15(17)18)9-13-4-2-8-20-13/h1-9H,10H2,(H,17,18)/b6-5-,11-9-.
What are the key properties of (Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid?
(Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid has a molecular weight of 272.26 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid is sourced from PubChem (CID 149365337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).