9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene

C12H15N — CID 143027531

IUPAC9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene
SMILESCC1=NC2=CC=CC3CC23C1(C)C
InChIInChI=1S/C12H15N/c1-8-11(2,3)12-7-9(12)5-4-6-10(12)13-8/h4-6,9H,7H2,1-3H3
InChIKeyLYYODRQFDAFGET-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.95
Rot. Bonds

About 9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene

9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene (PubChem CID 143027531) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene.

Molecular Properties

Compound Name9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene
PubChem CID143027531
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene
SMILESCC1=NC2=CC=CC3CC23C1(C)C
InChIInChI=1S/C12H15N/c1-8-11(2,3)12-7-9(12)5-4-6-10(12)13-8/h4-6,9H,7H2,1-3H3
InChIKeyLYYODRQFDAFGET-UHFFFAOYSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethane;2-methyl-9-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene
CID 141792793
3-Ethyl-7a,8-dihydrocyclopropa[e]quinoline
CID 141894328
3,6-Dimethyl-1,1a-dihydrocyclopropa[d]quinoline
CID 142925621
3-Methyl-7a,8-dihydrocyclopropa[e]quinoline
CID 143317530
2,3,3-Trimethyl-3a,4-dihydroindole
CID 148365743
sodium 3,3-dimethyl-2-methylidene-5H-indol-3a-ylium-5-ide
CID 162475748
2-Tert-butyl-3,3a-dihydrocyclohepta[b]pyrrole
CID 11446790
2-Methyl-9-azatetracyclo[8.5.0.01,14.03,8]pentadeca-2,4,6,8,10,12-hexaene
CID 141792794

Frequently Asked Questions

What is the IUPAC name of 9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene?
The IUPAC name of 9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene (CID 143027531) is 9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene.
What is the SMILES notation for 9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene?
The canonical SMILES for 9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene is CC1=NC2=CC=CC3CC23C1(C)C.
What is the InChIKey of 9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene?
The InChIKey is LYYODRQFDAFGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-8-11(2,3)12-7-9(12)5-4-6-10(12)13-8/h4-6,9H,7H2,1-3H3.
What are the key properties of 9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene?
9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene has a molecular weight of 173.26 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10,10-trimethyl-8-azatricyclo[5.3.0.01,3]deca-4,6,8-triene is sourced from PubChem (CID 143027531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).