5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

C11H19NO — CID 167466770

IUPAC5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESCC=CCN1CCC2OCCC2C1
InChIInChI=1S/C11H19NO/c1-2-3-6-12-7-4-11-10(9-12)5-8-13-11/h2-3,10-11H,4-9H2,1H3
InChIKeyXHMKTQWYJZPCSL-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.67
Rot. Bonds2

About 5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine

5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (PubChem CID 167466770) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
PubChem CID167466770
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESCC=CCN1CCC2OCCC2C1
InChIInChI=1S/C11H19NO/c1-2-3-6-12-7-4-11-10(9-12)5-8-13-11/h2-3,10-11H,4-9H2,1H3
InChIKeyXHMKTQWYJZPCSL-UHFFFAOYSA-N
XLogP1.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine 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 5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The IUPAC name of 5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (CID 167466770) is 5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.
What is the SMILES notation for 5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The canonical SMILES for 5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is CC=CCN1CCC2OCCC2C1.
What is the InChIKey of 5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The InChIKey is XHMKTQWYJZPCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-2-3-6-12-7-4-11-10(9-12)5-8-13-11/h2-3,10-11H,4-9H2,1H3.
What are the key properties of 5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine has a molecular weight of 181.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-enyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is sourced from PubChem (CID 167466770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).