2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine

C19H23NO3 — CID 71110300

About 2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine

2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine (PubChem CID 71110300) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine.

Molecular Properties

• Compound Name: 2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine
• PubChem CID: 71110300
• Molecular Formula: C19H23NO3
• Molecular Weight: 313.40 g/mol
• Exact Mass: 313.17
• IUPAC Name: 2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine
• SMILES: CO/C(C)=C/C1=C(C)CN2CCc3cc4c(cc3C2C1)OCO4
• InChI: InChI=1S/C19H23NO3/c1-12-10-20-5-4-14-8-18-19(23-11-22-18)9-16(14)17(20)7-15(12)6-13(2)21-3/h6,8-9,17H,4-5,7,10-11H2,1-3H3/b13-6+
• InChIKey: MYPNQQZQCGPZIF-AWNIVKPZSA-N
• XLogP: 3.58
• TPSA: 30.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.40
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine?

The IUPAC name of 2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine (CID 71110300) is 2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine.

What is the SMILES notation for 2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine?

The canonical SMILES for 2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine is CO/C(C)=C/C1=C(C)CN2CCc3cc4c(cc3C2C1)OCO4.

What is the InChIKey of 2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine?

The InChIKey is MYPNQQZQCGPZIF-AWNIVKPZSA-N. The full InChI is InChI=1S/C19H23NO3/c1-12-10-20-5-4-14-8-18-19(23-11-22-18)9-16(14)17(20)7-15(12)6-13(2)21-3/h6,8-9,17H,4-5,7,10-11H2,1-3H3/b13-6+.

What are the key properties of 2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine?

2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine has a molecular weight of 313.40 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-2-methoxyprop-1-enyl]-3-methyl-4,6,7,12b-tetrahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizine is sourced from PubChem (CID 71110300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).