(Z)-3-(furan-2-yl)pent-2-enoic acid

C9H10O3 — CID 62632161

IUPAC(Z)-3-(furan-2-yl)pent-2-enoic acid
SMILESCC/C(=C/C(=O)O)c1ccco1
InChIInChI=1S/C9H10O3/c1-2-7(6-9(10)11)8-4-3-5-12-8/h3-6H,2H2,1H3,(H,10,11)/b7-6-
InChIKeyGNCAZEPMRIZSEM-SREVYHEPSA-N
MW166.18 g/mol
LogP2.16
Rot. Bonds3

About (Z)-3-(furan-2-yl)pent-2-enoic acid

(Z)-3-(furan-2-yl)pent-2-enoic acid (PubChem CID 62632161) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is (Z)-3-(furan-2-yl)pent-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(furan-2-yl)pent-2-enoic acid
PubChem CID62632161
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name(Z)-3-(furan-2-yl)pent-2-enoic acid
SMILESCC/C(=C/C(=O)O)c1ccco1
InChIInChI=1S/C9H10O3/c1-2-7(6-9(10)11)8-4-3-5-12-8/h3-6H,2H2,1H3,(H,10,11)/b7-6-
InChIKeyGNCAZEPMRIZSEM-SREVYHEPSA-N
XLogP2.16
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)pent-2-enenitrile
CID 71383305
ethane;(E)-3-(furan-2-yl)pent-2-enenitrile
CID 159560899
(E)-3-diethoxyphosphoryl-3-(furan-2-yl)prop-2-enoic acid
CID 156598408
furan-2-carboxylic acid;hexane
CID 157215891
2-fluoro-3-(furan-2-yl)pent-2-enoic acid
CID 79728911
furan-2-carboxylic acid;methanol
CID 70611195
furan-2-carboxylic acid;methanamine
CID 82372767
zinc furan-2-carboxylic acid
CID 25022579
furan-2-carboxylic acid;gold
CID 174701575
furan-2-carboxylic acid;silver
CID 87285311
(E)-4-(furan-2-yl)-2-hydroxy-4-oxobut-2-enoic acid
CID 68590353
(Z)-but-2-enedioic acid;furan-2-carboxamide
CID 161348796

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(furan-2-yl)pent-2-enoic acid?
The IUPAC name of (Z)-3-(furan-2-yl)pent-2-enoic acid (CID 62632161) is (Z)-3-(furan-2-yl)pent-2-enoic acid.
What is the SMILES notation for (Z)-3-(furan-2-yl)pent-2-enoic acid?
The canonical SMILES for (Z)-3-(furan-2-yl)pent-2-enoic acid is CC/C(=C/C(=O)O)c1ccco1.
What is the InChIKey of (Z)-3-(furan-2-yl)pent-2-enoic acid?
The InChIKey is GNCAZEPMRIZSEM-SREVYHEPSA-N. The full InChI is InChI=1S/C9H10O3/c1-2-7(6-9(10)11)8-4-3-5-12-8/h3-6H,2H2,1H3,(H,10,11)/b7-6-.
What are the key properties of (Z)-3-(furan-2-yl)pent-2-enoic acid?
(Z)-3-(furan-2-yl)pent-2-enoic acid has a molecular weight of 166.18 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(furan-2-yl)pent-2-enoic acid is sourced from PubChem (CID 62632161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).