[(Z)-prop-1-enyl] furan-3-carboxylate

C8H8O3 — CID 89315599

IUPAC[(Z)-prop-1-enyl] furan-3-carboxylate
SMILESC/C=C\OC(=O)c1ccoc1
InChIInChI=1S/C8H8O3/c1-2-4-11-8(9)7-3-5-10-6-7/h2-6H,1H3/b4-2-
InChIKeyQIODFCRIIYJQFL-RQOWECAXSA-N
MW152.15 g/mol
LogP1.97
Rot. Bonds2

About [(Z)-prop-1-enyl] furan-3-carboxylate

[(Z)-prop-1-enyl] furan-3-carboxylate (PubChem CID 89315599) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is [(Z)-prop-1-enyl] furan-3-carboxylate.

Molecular Properties

Compound Name[(Z)-prop-1-enyl] furan-3-carboxylate
PubChem CID89315599
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name[(Z)-prop-1-enyl] furan-3-carboxylate
SMILESC/C=C\OC(=O)c1ccoc1
InChIInChI=1S/C8H8O3/c1-2-4-11-8(9)7-3-5-10-6-7/h2-6H,1H3/b4-2-
InChIKeyQIODFCRIIYJQFL-RQOWECAXSA-N
XLogP1.97
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-Furoic acid
CID 10268
3-Furaldehyde
CID 10351
Methyl furan-3-carboxylate
CID 14918
3-Furanmethanol
CID 20449
Ethyl 3-furoate
CID 69201
3,4-Furandicarboxylic acid
CID 76923
4-(Ethoxycarbonyl)furan-3-carboxylic acid
CID 271570
3,4-Diethyl 3,4-furandicarboxylate
CID 35399
2-(Trimethylsilyl)furan-3-carboxylic acid
CID 10888625
Icosa-5,8,11,14-tetraenoic acid furan-3-ylmethyl ester
CID 10200054
3,4-Furandimethanol, diacetate
CID 100613
Dimethyl furan-3,4-dicarboxylate
CID 303461

Frequently Asked Questions

What is the IUPAC name of [(Z)-prop-1-enyl] furan-3-carboxylate?
The IUPAC name of [(Z)-prop-1-enyl] furan-3-carboxylate (CID 89315599) is [(Z)-prop-1-enyl] furan-3-carboxylate.
What is the SMILES notation for [(Z)-prop-1-enyl] furan-3-carboxylate?
The canonical SMILES for [(Z)-prop-1-enyl] furan-3-carboxylate is C/C=C\OC(=O)c1ccoc1.
What is the InChIKey of [(Z)-prop-1-enyl] furan-3-carboxylate?
The InChIKey is QIODFCRIIYJQFL-RQOWECAXSA-N. The full InChI is InChI=1S/C8H8O3/c1-2-4-11-8(9)7-3-5-10-6-7/h2-6H,1H3/b4-2-.
What are the key properties of [(Z)-prop-1-enyl] furan-3-carboxylate?
[(Z)-prop-1-enyl] furan-3-carboxylate has a molecular weight of 152.15 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-prop-1-enyl] furan-3-carboxylate is sourced from PubChem (CID 89315599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).