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

C9H17NO — CID 145201967

IUPAC5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESCCN1CCC2OCCC2C1
InChIInChI=1S/C9H17NO/c1-2-10-5-3-9-8(7-10)4-6-11-9/h8-9H,2-7H2,1H3
InChIKeyWGBDYKVKZUONCL-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.12
Rot. Bonds1

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

5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (PubChem CID 145201967) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
PubChem CID145201967
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESCCN1CCC2OCCC2C1
InChIInChI=1S/C9H17NO/c1-2-10-5-3-9-8(7-10)4-6-11-9/h8-9H,2-7H2,1H3
InChIKeyWGBDYKVKZUONCL-UHFFFAOYSA-N
XLogP1.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The IUPAC name of 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (CID 145201967) is 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.
What is the SMILES notation for 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The canonical SMILES for 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is CCN1CCC2OCCC2C1.
What is the InChIKey of 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The InChIKey is WGBDYKVKZUONCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-10-5-3-9-8(7-10)4-6-11-9/h8-9H,2-7H2,1H3.
What are the key properties of 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine has a molecular weight of 155.24 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is sourced from PubChem (CID 145201967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).