7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

C16H22N2 — CID 116993219

IUPAC7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESc1c(C2CCNC2)cc2c3c1CCCN3CCC2
InChIInChI=1S/C16H22N2/c1-3-12-9-15(14-5-6-17-11-14)10-13-4-2-8-18(7-1)16(12)13/h9-10,14,17H,1-8,11H2
InChIKeyGOSLYHCLFXOEPW-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.46
Rot. Bonds1

About 7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene

7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (PubChem CID 116993219) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.

Molecular Properties

Compound Name7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
PubChem CID116993219
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
SMILESc1c(C2CCNC2)cc2c3c1CCCN3CCC2
InChIInChI=1S/C16H22N2/c1-3-12-9-15(14-5-6-17-11-14)10-13-4-2-8-18(7-1)16(12)13/h9-10,14,17H,1-8,11H2
InChIKeyGOSLYHCLFXOEPW-UHFFFAOYSA-N
XLogP2.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene 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

7-piperidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 116993221
1-[4-[(3R)-pyrrolidin-3-yl]phenyl]pyrrolidine
CID 96781240
1-methyl-4-(3-pyrrolidin-3-ylphenyl)piperazine
CID 117366269
3-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyrrolidine
CID 82605512
7-bromo-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene;hydrobromide
CID 21161176
tert-butyl 8-pyrrolidin-3-yl-1,3,4,5-tetrahydro-2-benzazepine-2-carboxylate
CID 131866227
(3R)-3-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidine
CID 96748686
3-(2,3-dihydro-1H-inden-5-yl)piperidin-4-amine
CID 82614224
7-ethyl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 70876138
2,6-difluoro-4-pyrrolidin-3-ylphenol
CID 84775153
3-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81057789
6-(azetidin-3-yl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 116983194

Frequently Asked Questions

What is the IUPAC name of 7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The IUPAC name of 7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene (CID 116993219) is 7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene.
What is the SMILES notation for 7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The canonical SMILES for 7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is c1c(C2CCNC2)cc2c3c1CCCN3CCC2.
What is the InChIKey of 7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
The InChIKey is GOSLYHCLFXOEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-3-12-9-15(14-5-6-17-11-14)10-13-4-2-8-18(7-1)16(12)13/h9-10,14,17H,1-8,11H2.
What are the key properties of 7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene?
7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene has a molecular weight of 242.37 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-pyrrolidin-3-yl-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene is sourced from PubChem (CID 116993219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).