4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene

C12H17N — CID 66486601

IUPAC4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESC=CCN1CC2C3C=CC(C3)C2C1
InChIInChI=1S/C12H17N/c1-2-5-13-7-11-9-3-4-10(6-9)12(11)8-13/h2-4,9-12H,1,5-8H2
InChIKeyYIZHEOSIIXUGSV-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.93
Rot. Bonds2

About 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene

4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene (PubChem CID 66486601) has the molecular formula C12H17N and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene.

Molecular Properties

Compound Name4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
PubChem CID66486601
Molecular FormulaC12H17N
Molecular Weight175.27 g/mol
Exact Mass175.14
IUPAC Name4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
SMILESC=CCN1CC2C3C=CC(C3)C2C1
InChIInChI=1S/C12H17N/c1-2-5-13-7-11-9-3-4-10(6-9)12(11)8-13/h2-4,9-12H,1,5-8H2
InChIKeyYIZHEOSIIXUGSV-UHFFFAOYSA-N
XLogP1.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene 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 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The IUPAC name of 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene (CID 66486601) is 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene.
What is the SMILES notation for 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The canonical SMILES for 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene is C=CCN1CC2C3C=CC(C3)C2C1.
What is the InChIKey of 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
The InChIKey is YIZHEOSIIXUGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-2-5-13-7-11-9-3-4-10(6-9)12(11)8-13/h2-4,9-12H,1,5-8H2.
What are the key properties of 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene?
4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene has a molecular weight of 175.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene is sourced from PubChem (CID 66486601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).