8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene

C13H17N — CID 154876558

IUPAC8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene
SMILESc1ccc2c(c1)NCC1CCC2CC1
InChIInChI=1S/C13H17N/c1-2-4-13-12(3-1)11-7-5-10(6-8-11)9-14-13/h1-4,10-11,14H,5-9H2
InChIKeyXZRMRGIMDNRLDL-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.39
Rot. Bonds

About 8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene

8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene (PubChem CID 154876558) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene.

Molecular Properties

Compound Name8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene
PubChem CID154876558
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene
SMILESc1ccc2c(c1)NCC1CCC2CC1
InChIInChI=1S/C13H17N/c1-2-4-13-12(3-1)11-7-5-10(6-8-11)9-14-13/h1-4,10-11,14H,5-9H2
InChIKeyXZRMRGIMDNRLDL-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(3R)-3-ethyl-2,3-dihydro-1H-indole
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2,3-dihydro-1H-indol-3-yl(trimethyl)azanium
CID 174459262
3-hydroperoxy-2,3-dihydro-1H-indole
CID 119084044
(1S,9R)-tricyclo[7.2.1.02,7]dodeca-2,4,6-triene
CID 135034885
(4R)-1,2,3,4-tetrahydroquinolin-4-amine
CID 29243671
(1R,2S,11S,12S)-9,13-diazapentacyclo[10.7.1.02,11.03,8.014,19]icosa-3,5,7,14,16,18-hexaene
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CID 140807069
CID 140807069

Frequently Asked Questions

What is the IUPAC name of 8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene?
The IUPAC name of 8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene (CID 154876558) is 8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene.
What is the SMILES notation for 8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene?
The canonical SMILES for 8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene is c1ccc2c(c1)NCC1CCC2CC1.
What is the InChIKey of 8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene?
The InChIKey is XZRMRGIMDNRLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-4-13-12(3-1)11-7-5-10(6-8-11)9-14-13/h1-4,10-11,14H,5-9H2.
What are the key properties of 8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene?
8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene has a molecular weight of 187.29 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azatricyclo[8.2.2.02,7]tetradeca-2,4,6-triene is sourced from PubChem (CID 154876558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).