(1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one

C12H16N2O — CID 11275735

IUPAC(1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one
SMILESCn1ccc2c(c1=O)CC1CNC[C@@H]2C1
InChIInChI=1S/C12H16N2O/c1-14-3-2-10-9-4-8(6-13-7-9)5-11(10)12(14)15/h2-3,8-9,13H,4-7H2,1H3/t8?,9-/m0/s1
InChIKeyIJOFSDDRDHZFNT-GKAPJAKFSA-N
MW204.27 g/mol
LogP0.63
Rot. Bonds

About (1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one

(1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one (PubChem CID 11275735) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one.

Molecular Properties

Compound Name(1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one
PubChem CID11275735
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one
SMILESCn1ccc2c(c1=O)CC1CNC[C@@H]2C1
InChIInChI=1S/C12H16N2O/c1-14-3-2-10-9-4-8(6-13-7-9)5-11(10)12(14)15/h2-3,8-9,13H,4-7H2,1H3/t8?,9-/m0/s1
InChIKeyIJOFSDDRDHZFNT-GKAPJAKFSA-N
XLogP0.63
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze (1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one with MolForge

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Related Compounds

tert-butyl 5-methyl-6-oxo-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-diene-11-carboxylate
CID 68807074
(1S,9R)-5,6-difluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 15953502
(1S,9R)-5,6-difluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene;hydrochloride
CID 135056683
1-methyl-3-piperidin-3-ylpyridin-2-one
CID 166162666
3-methyl-3,7-diazabicyclo[3.3.1]nonan-2-one
CID 84650003
11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CID 10219748
5-bromo-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 83680077
(1S,9R)-5-chloro-6,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 50924071
11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-5-ol;hydrochloride
CID 18415758
(1S,8R)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene
CID 11232816
2-methyl-6,7-dihydro-5H-cyclopenta[c]pyridin-1-one
CID 14732816
5-methyl-4,6,11-triazatricyclo[7.3.1.02,7]trideca-2,4,6-triene
CID 84662219

Frequently Asked Questions

What is the IUPAC name of (1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one?
The IUPAC name of (1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one (CID 11275735) is (1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one.
What is the SMILES notation for (1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one?
The canonical SMILES for (1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one is Cn1ccc2c(c1=O)CC1CNC[C@@H]2C1.
What is the InChIKey of (1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one?
The InChIKey is IJOFSDDRDHZFNT-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14-3-2-10-9-4-8(6-13-7-9)5-11(10)12(14)15/h2-3,8-9,13H,4-7H2,1H3/t8?,9-/m0/s1.
What are the key properties of (1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one?
(1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one has a molecular weight of 204.27 g/mol, XLogP of 0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-methyl-5,11-diazatricyclo[7.3.1.02,7]trideca-2(7),3-dien-6-one is sourced from PubChem (CID 11275735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).