2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine

C15H17NO — CID 14004040

IUPAC2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine
SMILESc1ccc2c3c(oc2c1)C1CCCCN1CC3
InChIInChI=1S/C15H17NO/c1-2-7-14-11(5-1)12-8-10-16-9-4-3-6-13(16)15(12)17-14/h1-2,5,7,13H,3-4,6,8-10H2
InChIKeyWVLAAGBGTBJXIQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.52
Rot. Bonds

About 2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine

2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine (PubChem CID 14004040) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine.

Molecular Properties

Compound Name2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine
PubChem CID14004040
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine
SMILESc1ccc2c3c(oc2c1)C1CCCCN1CC3
InChIInChI=1S/C15H17NO/c1-2-7-14-11(5-1)12-8-10-16-9-4-3-6-13(16)15(12)17-14/h1-2,5,7,13H,3-4,6,8-10H2
InChIKeyWVLAAGBGTBJXIQ-UHFFFAOYSA-N
XLogP3.52
TPSA16.38 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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine?
The IUPAC name of 2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine (CID 14004040) is 2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine.
What is the SMILES notation for 2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine?
The canonical SMILES for 2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine is c1ccc2c3c(oc2c1)C1CCCCN1CC3.
What is the InChIKey of 2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine?
The InChIKey is WVLAAGBGTBJXIQ-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/h1-2,5,7,13H,3-4,6,8-10H2.
What are the key properties of 2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine?
2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine has a molecular weight of 227.31 g/mol, XLogP of 3.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,7,12b-hexahydro-1H-[1]benzofuro[2,3-a]quinolizine is sourced from PubChem (CID 14004040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).