(1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one

C15H18N2O — CID 162417249

IUPAC(1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one
SMILESCC1(C)[C@H]2CCC[C@]23C(=O)Nc2ccccc2N13
InChIInChI=1S/C15H18N2O/c1-14(2)12-8-5-9-15(12)13(18)16-10-6-3-4-7-11(10)17(14)15/h3-4,6-7,12H,5,8-9H2,1-2H3,(H,16,18)/t12-,15-/m1/s1
InChIKeyUBKCQLGWYVQAEK-IUODEOHRSA-N
MW242.32 g/mol
LogP2.78
Rot. Bonds

About (1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one

(1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one (PubChem CID 162417249) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is (1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one.

Molecular Properties

Compound Name(1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one
PubChem CID162417249
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name(1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one
SMILESCC1(C)[C@H]2CCC[C@]23C(=O)Nc2ccccc2N13
InChIInChI=1S/C15H18N2O/c1-14(2)12-8-5-9-15(12)13(18)16-10-6-3-4-7-11(10)17(14)15/h3-4,6-7,12H,5,8-9H2,1-2H3,(H,16,18)/t12-,15-/m1/s1
InChIKeyUBKCQLGWYVQAEK-IUODEOHRSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one with MolForge

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Related Compounds

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CID 162415169
2a-butyl-1-methyl-3-oxo-2,2a,3,4-tetrahydro-1H-azeto[1,2-a]quinoxaline-1-carbonitrile
CID 178880222
3-Hexyl-3-methyl-1,4-dihydroquinoxalin-2-one
CID 12886754
7-Propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 169049689
6-Propan-2-ylspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
CID 169049710
Spiro[1,3,4-trihydroquinoxaline-3,1'-cycloheptane]-2-one
CID 4184445
2a-phenyl-2,2a-dihydro-1H-azeto[1,2-a]quinoxaline-1,3(4H)-dione
CID 12290605
4-[2-(azocan-1-yl)acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55471281
4-[2-(Aminomethyl)cyclopentanecarbonyl]-1,3-dihydroquinoxalin-2-one
CID 65895875
1,2,3,3a,4,5,6,6a-Octahydrocyclopenta[c]pyrrol-3-yl-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 102893113
4-(2-Methylcyclopentanecarbonyl)-1,3-dihydroquinoxalin-2-one
CID 104438213

Frequently Asked Questions

What is the IUPAC name of (1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one?
The IUPAC name of (1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one (CID 162417249) is (1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one.
What is the SMILES notation for (1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one?
The canonical SMILES for (1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one is CC1(C)[C@H]2CCC[C@]23C(=O)Nc2ccccc2N13.
What is the InChIKey of (1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one?
The InChIKey is UBKCQLGWYVQAEK-IUODEOHRSA-N. The full InChI is InChI=1S/C15H18N2O/c1-14(2)12-8-5-9-15(12)13(18)16-10-6-3-4-7-11(10)17(14)15/h3-4,6-7,12H,5,8-9H2,1-2H3,(H,16,18)/t12-,15-/m1/s1.
What are the key properties of (1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one?
(1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12R)-11,11-dimethyl-3,10-diazatetracyclo[8.5.0.01,12.04,9]pentadeca-4,6,8-trien-2-one is sourced from PubChem (CID 162417249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).