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

C11H17NO — CID 167466590

IUPAC4-but-2-ynyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
SMILESCC#CCN1CCCC2OCCC21
InChIInChI=1S/C11H17NO/c1-2-3-7-12-8-4-5-11-10(12)6-9-13-11/h10-11H,4-9H2,1H3
InChIKeyVWRUHRQYTXEJRF-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.26
Rot. Bonds1

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

4-but-2-ynyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine (PubChem CID 167466590) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-but-2-ynyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine.

Molecular Properties

Compound Name4-but-2-ynyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
PubChem CID167466590
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-but-2-ynyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine
SMILESCC#CCN1CCCC2OCCC21
InChIInChI=1S/C11H17NO/c1-2-3-7-12-8-4-5-11-10(12)6-9-13-11/h10-11H,4-9H2,1H3
InChIKeyVWRUHRQYTXEJRF-UHFFFAOYSA-N
XLogP1.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

(4aR,8aR)-5-(3-chloropropyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyridine
CID 129389725
1-(2,3,4,5a,6,7,8,8a-octahydrocyclopenta[b][1,4]oxazepin-5-yl)propan-2-amine
CID 131201727
ethyl 1-but-2-ynylpiperidine-2-carboxylate
CID 79006426
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butan-2-one
CID 62039938
4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-methylbut-2-enoic acid
CID 77006068
(4aR,7aS)-4-(2,2-difluoroethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 131038084
3-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-2,2-dimethylpropan-1-amine
CID 62259530
3-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2,2-dimethylpropan-1-amine
CID 62259048
4-[(3-methylpiperidin-2-yl)methyl]-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 107069146
4-(oxolan-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 84583277
4-(oxan-2-ylmethyl)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 71940074
(3R)-1-but-2-ynylpiperidin-3-amine
CID 94397315

Frequently Asked Questions

What is the IUPAC name of 4-but-2-ynyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
The IUPAC name of 4-but-2-ynyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine (CID 167466590) is 4-but-2-ynyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine.
What is the SMILES notation for 4-but-2-ynyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
The canonical SMILES for 4-but-2-ynyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine is CC#CCN1CCCC2OCCC21.
What is the InChIKey of 4-but-2-ynyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
The InChIKey is VWRUHRQYTXEJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-3-7-12-8-4-5-11-10(12)6-9-13-11/h10-11H,4-9H2,1H3.
What are the key properties of 4-but-2-ynyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine?
4-but-2-ynyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine has a molecular weight of 179.26 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-ynyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-b]pyridine is sourced from PubChem (CID 167466590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).