4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

C14H15N — CID 87994494

IUPAC4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESC#Cc1cc2c(cc1C)C1CNCC2C1
InChIInChI=1S/C14H15N/c1-3-10-6-14-12-5-11(7-15-8-12)13(14)4-9(10)2/h1,4,6,11-12,15H,5,7-8H2,2H3
InChIKeyDGQALMKGSFBNHK-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.15
Rot. Bonds

About 4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene

4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 87994494) has the molecular formula C14H15N and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

Compound Name4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
PubChem CID87994494
Molecular FormulaC14H15N
Molecular Weight197.28 g/mol
Exact Mass197.12
IUPAC Name4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene
SMILESC#Cc1cc2c(cc1C)C1CNCC2C1
InChIInChI=1S/C14H15N/c1-3-10-6-14-12-5-11(7-15-8-12)13(14)4-9(10)2/h1,4,6,11-12,15H,5,7-8H2,2H3
InChIKeyDGQALMKGSFBNHK-UHFFFAOYSA-N
XLogP2.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene 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-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The IUPAC name of 4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene (CID 87994494) is 4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene.
What is the SMILES notation for 4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The canonical SMILES for 4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is C#Cc1cc2c(cc1C)C1CNCC2C1.
What is the InChIKey of 4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
The InChIKey is DGQALMKGSFBNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N/c1-3-10-6-14-12-5-11(7-15-8-12)13(14)4-9(10)2/h1,4,6,11-12,15H,5,7-8H2,2H3.
What are the key properties of 4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene?
4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 197.28 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-5-methyl-10-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 87994494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).