(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid

C10H10O3 — CID 774945

IUPAC(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid
SMILESCC(=C/C(=O)O)/C=C/c1ccco1
InChIInChI=1S/C10H10O3/c1-8(7-10(11)12)4-5-9-3-2-6-13-9/h2-7H,1H3,(H,11,12)/b5-4+,8-7-
InChIKeyYQUYSXFOPNDMKO-HTKRNXBHSA-N
MW178.19 g/mol
LogP2.32
Rot. Bonds3

About (2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid

(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid (PubChem CID 774945) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is (2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid
PubChem CID774945
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid
SMILESCC(=C/C(=O)O)/C=C/c1ccco1
InChIInChI=1S/C10H10O3/c1-8(7-10(11)12)4-5-9-3-2-6-13-9/h2-7H,1H3,(H,11,12)/b5-4+,8-7-
InChIKeyYQUYSXFOPNDMKO-HTKRNXBHSA-N
XLogP2.32
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

CID 20843414
CID 20843414
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
CID 59090942
CID 59090942
(4E)-3-methyl-5-phenylpenta-2,4-dienoic acid
CID 774941
4-(furan-2-yl)but-3-ene-2-thione
CID 170923429
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633
(2Z,4E)-5-(5-bromofuran-2-yl)-3-methylpenta-2,4-dienoic acid
CID 44631145
(1E,4Z)-1-(furan-2-yl)-5-phenylpenta-1,4-dien-3-one
CID 92904073
(Z,4Z)-4-(furan-2-ylmethylidene)-3-methylpent-2-enedioic acid
CID 690378
(1E)-1-(furan-2-yl)-4-methylhexa-1,4,5-trien-3-one
CID 102297621
butyl (Z)-3-(furan-2-yl)prop-2-enoate
CID 102254544

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid (CID 774945) is (2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid is CC(=C/C(=O)O)/C=C/c1ccco1.
What is the InChIKey of (2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid?
The InChIKey is YQUYSXFOPNDMKO-HTKRNXBHSA-N. The full InChI is InChI=1S/C10H10O3/c1-8(7-10(11)12)4-5-9-3-2-6-13-9/h2-7H,1H3,(H,11,12)/b5-4+,8-7-.
What are the key properties of (2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid?
(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid has a molecular weight of 178.19 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid is sourced from PubChem (CID 774945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).