2-(3-methylbut-2-enyl)furan

C9H12O — CID 13202607

IUPAC2-(3-methylbut-2-enyl)furan
SMILESCC(C)=CCc1ccco1
InChIInChI=1S/C9H12O/c1-8(2)5-6-9-4-3-7-10-9/h3-5,7H,6H2,1-2H3
InChIKeyQJDVUKINSYGEHQ-UHFFFAOYSA-N
MW136.19 g/mol
LogP2.79
Rot. Bonds2

About 2-(3-methylbut-2-enyl)furan

2-(3-methylbut-2-enyl)furan (PubChem CID 13202607) has the molecular formula C9H12O and a molecular weight of 136.19 g/mol. Its IUPAC name is 2-(3-methylbut-2-enyl)furan.

Molecular Properties

Compound Name2-(3-methylbut-2-enyl)furan
PubChem CID13202607
Molecular FormulaC9H12O
Molecular Weight136.19 g/mol
Exact Mass136.09
IUPAC Name2-(3-methylbut-2-enyl)furan
SMILESCC(C)=CCc1ccco1
InChIInChI=1S/C9H12O/c1-8(2)5-6-9-4-3-7-10-9/h3-5,7H,6H2,1-2H3
InChIKeyQJDVUKINSYGEHQ-UHFFFAOYSA-N
XLogP2.79
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.19
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(3-methylbut-2-enyl)furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enyl)furan?
The IUPAC name of 2-(3-methylbut-2-enyl)furan (CID 13202607) is 2-(3-methylbut-2-enyl)furan.
What is the SMILES notation for 2-(3-methylbut-2-enyl)furan?
The canonical SMILES for 2-(3-methylbut-2-enyl)furan is CC(C)=CCc1ccco1.
What is the InChIKey of 2-(3-methylbut-2-enyl)furan?
The InChIKey is QJDVUKINSYGEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O/c1-8(2)5-6-9-4-3-7-10-9/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enyl)furan?
2-(3-methylbut-2-enyl)furan has a molecular weight of 136.19 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enyl)furan is sourced from PubChem (CID 13202607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).