3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene

C15H17NO2 — CID 114244219

IUPAC3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccc3c(c2)OCCO3)CC2CCC1N2
InChIInChI=1S/C15H17NO2/c1-4-14-15(18-6-5-17-14)9-10(1)11-7-12-2-3-13(8-11)16-12/h1,4,7,9,12-13,16H,2-3,5-6,8H2
InChIKeyIPUBVKJAUXBZRB-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.37
Rot. Bonds1

About 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene

3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene (PubChem CID 114244219) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene
PubChem CID114244219
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene
SMILESC1=C(c2ccc3c(c2)OCCO3)CC2CCC1N2
InChIInChI=1S/C15H17NO2/c1-4-14-15(18-6-5-17-14)9-10(1)11-7-12-2-3-13(8-11)16-12/h1,4,7,9,12-13,16H,2-3,5-6,8H2
InChIKeyIPUBVKJAUXBZRB-UHFFFAOYSA-N
XLogP2.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene with MolForge

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

Launch Full Analysis

Related Compounds

(1R,5S)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene
CID 92980020
3-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopent-2-en-1-ol
CID 65174066
3-phenyl-9-azabicyclo[3.3.1]non-2-ene
CID 70023991
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-9-methyl-9-azabicyclo[3.3.1]non-2-ene
CID 171974636
6-[(9bR)-4'-phenylspiro[1,3a,5,9b-tetrahydrocyclopenta[a]naphthalene-4,1'-cyclohexane]-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 168830978
17-(2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-trien-17-yl)-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
CID 23636185
20-(2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-yl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
CID 101436486
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2H-triazole
CID 147188821
7-(9H-fluoren-2-yl)-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171973343
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dimethylcyclohex-2-en-1-one
CID 65177182
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole
CID 67816809
5-(2,3-dihydro-1,4-benzodioxin-6-yl)benzene-1,3-diol
CID 102219638

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene (CID 114244219) is 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene is C1=C(c2ccc3c(c2)OCCO3)CC2CCC1N2.
What is the InChIKey of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene?
The InChIKey is IPUBVKJAUXBZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-4-14-15(18-6-5-17-14)9-10(1)11-7-12-2-3-13(8-11)16-12/h1,4,7,9,12-13,16H,2-3,5-6,8H2.
What are the key properties of 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene?
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene has a molecular weight of 243.31 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-8-azabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 114244219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).