2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine

C15H17NO — CID 70420972

IUPAC2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine
SMILESc1ccc2c(c1)OC1=C3CCCCN3CCC12
InChIInChI=1S/C15H17NO/c1-2-7-14-11(5-1)12-8-10-16-9-4-3-6-13(16)15(12)17-14/h1-2,5,7,12H,3-4,6,8-10H2
InChIKeyZEDHXYBYDVPPPQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.26
Rot. Bonds

About 2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine

2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine (PubChem CID 70420972) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine.

Molecular Properties

Compound Name2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine
PubChem CID70420972
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine
SMILESc1ccc2c(c1)OC1=C3CCCCN3CCC12
InChIInChI=1S/C15H17NO/c1-2-7-14-11(5-1)12-8-10-16-9-4-3-6-13(16)15(12)17-14/h1-2,5,7,12H,3-4,6,8-10H2
InChIKeyZEDHXYBYDVPPPQ-UHFFFAOYSA-N
XLogP3.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine?
The IUPAC name of 2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine (CID 70420972) is 2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine.
What is the SMILES notation for 2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine?
The canonical SMILES for 2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine is c1ccc2c(c1)OC1=C3CCCCN3CCC12.
What is the InChIKey of 2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine?
The InChIKey is ZEDHXYBYDVPPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-2-7-14-11(5-1)12-8-10-16-9-4-3-6-13(16)15(12)17-14/h1-2,5,7,12H,3-4,6,8-10H2.
What are the key properties of 2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine?
2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine has a molecular weight of 227.31 g/mol, XLogP of 3.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,7a-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine is sourced from PubChem (CID 70420972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).