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

C10H19NO — CID 142371381

IUPAC5-propyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESCCCN1CCC2OCCC2C1
InChIInChI=1S/C10H19NO/c1-2-5-11-6-3-10-9(8-11)4-7-12-10/h9-10H,2-8H2,1H3
InChIKeyNXTLPKUYIXDLHY-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.51
Rot. Bonds2

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

5-propyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (PubChem CID 142371381) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-propyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.

Molecular Properties

Compound Name5-propyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
PubChem CID142371381
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-propyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
SMILESCCCN1CCC2OCCC2C1
InChIInChI=1S/C10H19NO/c1-2-5-11-6-3-10-9(8-11)4-7-12-10/h9-10H,2-8H2,1H3
InChIKeyNXTLPKUYIXDLHY-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The IUPAC name of 5-propyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine (CID 142371381) is 5-propyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine.
What is the SMILES notation for 5-propyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The canonical SMILES for 5-propyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is CCCN1CCC2OCCC2C1.
What is the InChIKey of 5-propyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
The InChIKey is NXTLPKUYIXDLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-5-11-6-3-10-9(8-11)4-7-12-10/h9-10H,2-8H2,1H3.
What are the key properties of 5-propyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine?
5-propyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine has a molecular weight of 169.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine is sourced from PubChem (CID 142371381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).