2-but-3-enylfuran

C8H10O — CID 11977163

IUPAC2-but-3-enylfuran
SMILESC=CCCc1ccco1
InChIInChI=1S/C8H10O/c1-2-3-5-8-6-4-7-9-8/h2,4,6-7H,1,3,5H2
InChIKeySLRQHNMZSHSUSW-UHFFFAOYSA-N
MW122.17 g/mol
LogP2.40
Rot. Bonds3

About 2-but-3-enylfuran

2-but-3-enylfuran (PubChem CID 11977163) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 2-but-3-enylfuran.

Molecular Properties

Compound Name2-but-3-enylfuran
PubChem CID11977163
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name2-but-3-enylfuran
SMILESC=CCCc1ccco1
InChIInChI=1S/C8H10O/c1-2-3-5-8-6-4-7-9-8/h2,4,6-7H,1,3,5H2
InChIKeySLRQHNMZSHSUSW-UHFFFAOYSA-N
XLogP2.40
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-bis(but-3-enyl)furan
CID 10856026
2-(3-chloropropyl)furan
CID 12549641
4-(furan-2-yl)butanal
CID 14455558
N-[2-(furan-2-yl)ethyl]but-3-en-2-amine
CID 107906669
1-(furan-2-yl)pent-4-en-2-amine
CID 116660416
3-(furan-2-yl)propane-1-thiol
CID 12549643
N-[2-(furan-2-yl)ethyl]but-3-en-2-imine oxide
CID 10103742
2-(furan-2-ylmethyl)prop-2-enal
CID 117266840
2-(2-methoxyethyl)furan
CID 19010334
2-(2-methylsulfanylethyl)furan
CID 45489970
furan-2-ylmethanethiol
CID 158949317
11-(furan-2-yl)undecan-1-ol
CID 139763920

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enylfuran?
The IUPAC name of 2-but-3-enylfuran (CID 11977163) is 2-but-3-enylfuran.
What is the SMILES notation for 2-but-3-enylfuran?
The canonical SMILES for 2-but-3-enylfuran is C=CCCc1ccco1.
What is the InChIKey of 2-but-3-enylfuran?
The InChIKey is SLRQHNMZSHSUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c1-2-3-5-8-6-4-7-9-8/h2,4,6-7H,1,3,5H2.
What are the key properties of 2-but-3-enylfuran?
2-but-3-enylfuran has a molecular weight of 122.17 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enylfuran is sourced from PubChem (CID 11977163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).