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

C13H23NO — CID 167466939

IUPAC5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;ethane
SMILESCC.CC#CCN1CCC2OCCC2C1
InChIInChI=1S/C11H17NO.C2H6/c1-2-3-6-12-7-4-11-10(9-12)5-8-13-11;1-2/h10-11H,4-9H2,1H3;1-2H3
InChIKeyHGOBYFVWWQLDOC-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.15
Rot. Bonds1

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

5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;ethane (PubChem CID 167466939) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;ethane.

Molecular Properties

Compound Name5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;ethane
PubChem CID167466939
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;ethane
SMILESCC.CC#CCN1CCC2OCCC2C1
InChIInChI=1S/C11H17NO.C2H6/c1-2-3-6-12-7-4-11-10(9-12)5-8-13-11;1-2/h10-11H,4-9H2,1H3;1-2H3
InChIKeyHGOBYFVWWQLDOC-UHFFFAOYSA-N
XLogP2.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;ethane?
The IUPAC name of 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;ethane (CID 167466939) is 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;ethane.
What is the SMILES notation for 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;ethane?
The canonical SMILES for 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;ethane is CC.CC#CCN1CCC2OCCC2C1.
What is the InChIKey of 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;ethane?
The InChIKey is HGOBYFVWWQLDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-2-3-6-12-7-4-11-10(9-12)5-8-13-11;1-2/h10-11H,4-9H2,1H3;1-2H3.
What are the key properties of 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;ethane?
5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;ethane has a molecular weight of 209.33 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine;ethane is sourced from PubChem (CID 167466939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).