(3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene

C15H19N — CID 54351929

IUPAC(3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene
SMILESCN1CC[C@@H]2C=Cc3ccccc3C[C@H]2C1
InChIInChI=1S/C15H19N/c1-16-9-8-13-7-6-12-4-2-3-5-14(12)10-15(13)11-16/h2-7,13,15H,8-11H2,1H3/t13-,15-/m0/s1
InChIKeyUGJKTGSETZEIAQ-ZFWWWQNUSA-N
MW213.32 g/mol
LogP2.82
Rot. Bonds

About (3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene

(3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene (PubChem CID 54351929) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene.

Molecular Properties

Compound Name(3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene
PubChem CID54351929
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene
SMILESCN1CC[C@@H]2C=Cc3ccccc3C[C@H]2C1
InChIInChI=1S/C15H19N/c1-16-9-8-13-7-6-12-4-2-3-5-14(12)10-15(13)11-16/h2-7,13,15H,8-11H2,1H3/t13-,15-/m0/s1
InChIKeyUGJKTGSETZEIAQ-ZFWWWQNUSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene?
The IUPAC name of (3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene (CID 54351929) is (3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene.
What is the SMILES notation for (3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene?
The canonical SMILES for (3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene is CN1CC[C@@H]2C=Cc3ccccc3C[C@H]2C1.
What is the InChIKey of (3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene?
The InChIKey is UGJKTGSETZEIAQ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H19N/c1-16-9-8-13-7-6-12-4-2-3-5-14(12)10-15(13)11-16/h2-7,13,15H,8-11H2,1H3/t13-,15-/m0/s1.
What are the key properties of (3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene?
(3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene has a molecular weight of 213.32 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,8R)-5-methyl-5-azatricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraene is sourced from PubChem (CID 54351929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).