(11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one

C13H16N2O — CID 162649948

IUPAC(11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one
SMILESCN1C(=O)c2ccccc2CN2CC[C@H]1C2
InChIInChI=1S/C13H16N2O/c1-14-11-6-7-15(9-11)8-10-4-2-3-5-12(10)13(14)16/h2-5,11H,6-9H2,1H3/t11-/m0/s1
InChIKeyLIOWYGGESVHEHU-NSHDSACASA-N
MW216.28 g/mol
LogP1.35
Rot. Bonds

About (11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one

(11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one (PubChem CID 162649948) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one.

Molecular Properties

Compound Name(11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one
PubChem CID162649948
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one
SMILESCN1C(=O)c2ccccc2CN2CC[C@H]1C2
InChIInChI=1S/C13H16N2O/c1-14-11-6-7-15(9-11)8-10-4-2-3-5-12(10)13(14)16/h2-5,11H,6-9H2,1H3/t11-/m0/s1
InChIKeyLIOWYGGESVHEHU-NSHDSACASA-N
XLogP1.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one with MolForge

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Launch Full Analysis

Related Compounds

2-(1-butylpiperidin-4-yl)-3H-isoindol-1-one
CID 57273753
ethane;2-methyl-3H-isoindol-1-one;propane
CID 171626915
ethane;2-(1-methylpiperidin-4-yl)isoindole-1,3-dione
CID 90979720
ethane;2-methyl-3,4-dihydroisoquinolin-1-one
CID 91447303
CID 167712207
CID 167712207
2-methyl-3-(1-methylazetidin-3-yl)-3,4-dihydroisoquinolin-1-one
CID 118572114
1-(1-methylpiperidin-4-yl)indole-2,3-dione
CID 168796503
2-methyl-3-phenyl-3,4-dihydroisoquinolin-1-one
CID 10609923
2-stannyl-3H-isoindol-1-one
CID 151195244
2-(1-azabicyclo[2.2.2]octan-3-yl)-3,4-dihydroisoquinolin-1-one;hydrochloride
CID 45264684
2-bromo-3H-isoindol-1-one
CID 86611253
2-methyl-1a,7b-dihydro-1H-cyclopropa[c]isoquinolin-3-one
CID 121006099

Frequently Asked Questions

What is the IUPAC name of (11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one?
The IUPAC name of (11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one (CID 162649948) is (11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one.
What is the SMILES notation for (11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one?
The canonical SMILES for (11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one is CN1C(=O)c2ccccc2CN2CC[C@H]1C2.
What is the InChIKey of (11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one?
The InChIKey is LIOWYGGESVHEHU-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O/c1-14-11-6-7-15(9-11)8-10-4-2-3-5-12(10)13(14)16/h2-5,11H,6-9H2,1H3/t11-/m0/s1.
What are the key properties of (11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one?
(11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one has a molecular weight of 216.28 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11S)-10-methyl-1,10-diazatricyclo[9.2.1.03,8]tetradeca-3,5,7-trien-9-one is sourced from PubChem (CID 162649948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).