5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane

C15H29NO — CID 167466890

IUPAC5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane
SMILESCC.CC.CC#CCN1CCC2COCC2C1
InChIInChI=1S/C11H17NO.2C2H6/c1-2-3-5-12-6-4-10-8-13-9-11(10)7-12;2*1-2/h10-11H,4-9H2,1H3;2*1-2H3
InChIKeyAEVQCAQAIHZBGW-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.03
Rot. Bonds1

About 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane

5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane (PubChem CID 167466890) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane.

Molecular Properties

Compound Name5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane
PubChem CID167466890
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane
SMILESCC.CC.CC#CCN1CCC2COCC2C1
InChIInChI=1S/C11H17NO.2C2H6/c1-2-3-5-12-6-4-10-8-13-9-11(10)7-12;2*1-2/h10-11H,4-9H2,1H3;2*1-2H3
InChIKeyAEVQCAQAIHZBGW-UHFFFAOYSA-N
XLogP3.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane with MolForge

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

Launch Full Analysis

Related Compounds

2-(3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl)ethanol
CID 121215376
3-[(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]propan-1-amine
CID 129494379
(3R,4S)-1-but-2-ynylpyrrolidine-3,4-diol
CID 115278376
(3R)-1-but-2-ynylpiperidin-3-amine
CID 94397315
(3aR,6aR)-5-ethyl-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 170606863
4-but-2-ynylmorpholine-2-carbonitrile
CID 112734337
(3aR,7aR)-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-amine
CID 129410905
1-(4-but-2-ynylmorpholin-2-yl)ethanamine
CID 115315665
2-(4-but-2-ynylpiperazin-1-yl)ethanol
CID 62310008
3-(1-but-2-ynylpiperidin-4-yl)oxypropanoic acid
CID 63903229
1-ethyl-3-(oxiran-2-yl)pyrrolidine
CID 102567830
ethane;7-methyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyridine
CID 164548076

Frequently Asked Questions

What is the IUPAC name of 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane?
The IUPAC name of 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane (CID 167466890) is 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane.
What is the SMILES notation for 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane?
The canonical SMILES for 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane is CC.CC.CC#CCN1CCC2COCC2C1.
What is the InChIKey of 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane?
The InChIKey is AEVQCAQAIHZBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.2C2H6/c1-2-3-5-12-6-4-10-8-13-9-11(10)7-12;2*1-2/h10-11H,4-9H2,1H3;2*1-2H3.
What are the key properties of 5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane?
5-but-2-ynyl-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridine;ethane has a molecular weight of 239.40 g/mol, XLogP of 3.03, 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-1H-furo[3,4-c]pyridine;ethane is sourced from PubChem (CID 167466890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).