(Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid

C9H8O5 — CID 13045444

IUPAC(Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)OCc1ccco1
InChIInChI=1S/C9H8O5/c10-8(11)3-4-9(12)14-6-7-2-1-5-13-7/h1-5H,6H2,(H,10,11)/b4-3-
InChIKeyCCNOLDWKGQKXIR-ARJAWSKDSA-N
MW196.16 g/mol
LogP0.96
Rot. Bonds4

About (Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid

(Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid (PubChem CID 13045444) has the molecular formula C9H8O5 and a molecular weight of 196.16 g/mol. Its IUPAC name is (Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid
PubChem CID13045444
Molecular FormulaC9H8O5
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name(Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C\C(=O)OCc1ccco1
InChIInChI=1S/C9H8O5/c10-8(11)3-4-9(12)14-6-7-2-1-5-13-7/h1-5H,6H2,(H,10,11)/b4-3-
InChIKeyCCNOLDWKGQKXIR-ARJAWSKDSA-N
XLogP0.96
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.96
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

furan-2-ylmethyl pent-2-enoate
CID 140682231
furan-2-ylmethyl prop-2-enoate;hydron
CID 174819627
furan-2-ylmethyl 3-naphthalen-2-ylprop-2-enoate
CID 801603
azane;4-oxo-4-phenylmethoxybut-2-enoic acid
CID 77366810
furan-2-ylmethyl N,N-diphenylcarbamate
CID 4257643
2-fluoro-2-(furan-2-ylmethoxy)acetic acid
CID 79357493
furan-2-ylmethyl 2-methoxyacetate
CID 134852986
(E)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 39242195
(Z)-4-[furan-2-ylmethyl(methyl)amino]-4-oxobut-2-enoic acid
CID 91989672
furan-2-ylmethyl 2-(methylamino)acetate
CID 70320956
(E)-4-[2-(furan-2-ylmethylcarbamothioyl)hydrazinyl]-4-oxobut-2-enoic acid
CID 2140288
2-[2-[2-(furan-2-ylmethoxy)ethoxy]ethoxy]ethyl 2-diazoacetate
CID 101049735

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid?
The IUPAC name of (Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid (CID 13045444) is (Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid.
What is the SMILES notation for (Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid?
The canonical SMILES for (Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid is O=C(O)/C=C\C(=O)OCc1ccco1.
What is the InChIKey of (Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid?
The InChIKey is CCNOLDWKGQKXIR-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H8O5/c10-8(11)3-4-9(12)14-6-7-2-1-5-13-7/h1-5H,6H2,(H,10,11)/b4-3-.
What are the key properties of (Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid?
(Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid has a molecular weight of 196.16 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(furan-2-ylmethoxy)-4-oxobut-2-enoic acid is sourced from PubChem (CID 13045444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).