(11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene

C13H16N2 — CID 97302789

IUPAC(11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene
SMILESC[C@H]1C=Cn2cnc3c2=C(CCC=3)CC1
InChIInChI=1S/C13H16N2/c1-10-5-6-11-3-2-4-12-13(11)15(8-7-10)9-14-12/h4,7-10H,2-3,5-6H2,1H3/t10-/m1/s1
InChIKeyOBRQYHVRGYKKEN-SNVBAGLBSA-N
MW200.29 g/mol
LogP1.51
Rot. Bonds

About (11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene

(11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene (PubChem CID 97302789) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is (11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene.

Molecular Properties

Compound Name(11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene
PubChem CID97302789
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name(11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene
SMILESC[C@H]1C=Cn2cnc3c2=C(CCC=3)CC1
InChIInChI=1S/C13H16N2/c1-10-5-6-11-3-2-4-12-13(11)15(8-7-10)9-14-12/h4,7-10H,2-3,5-6H2,1H3/t10-/m1/s1
InChIKeyOBRQYHVRGYKKEN-SNVBAGLBSA-N
XLogP1.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene?
The IUPAC name of (11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene (CID 97302789) is (11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene.
What is the SMILES notation for (11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene?
The canonical SMILES for (11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene is C[C@H]1C=Cn2cnc3c2=C(CCC=3)CC1.
What is the InChIKey of (11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene?
The InChIKey is OBRQYHVRGYKKEN-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-5-6-11-3-2-4-12-13(11)15(8-7-10)9-14-12/h4,7-10H,2-3,5-6H2,1H3/t10-/m1/s1.
What are the key properties of (11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene?
(11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene has a molecular weight of 200.29 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-11-methyl-1,3-diazatricyclo[6.5.1.04,14]tetradeca-2,4,8(14),12-tetraene is sourced from PubChem (CID 97302789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).