(1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one

C11H18N2O — CID 98518623

IUPAC(1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one
SMILESCN1[C@@H]2CNC(=O)C[C@@H]1[C@@H]1CC[C@@H]2C1
InChIInChI=1S/C11H18N2O/c1-13-9-5-11(14)12-6-10(13)8-3-2-7(9)4-8/h7-10H,2-6H2,1H3,(H,12,14)/t7-,8-,9-,10-/m1/s1
InChIKeyWMMLURWWZAIQSL-ZYUZMQFOSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds

About (1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one

(1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one (PubChem CID 98518623) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one.

Molecular Properties

Compound Name(1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one
PubChem CID98518623
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one
SMILESCN1[C@@H]2CNC(=O)C[C@@H]1[C@@H]1CC[C@@H]2C1
InChIInChI=1S/C11H18N2O/c1-13-9-5-11(14)12-6-10(13)8-3-2-7(9)4-8/h7-10H,2-6H2,1H3,(H,12,14)/t7-,8-,9-,10-/m1/s1
InChIKeyWMMLURWWZAIQSL-ZYUZMQFOSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one with MolForge

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Related Compounds

(1R,2R,5R,6R)-10-methyl-10-azatricyclo[4.3.1.12,5]undecan-8-one
CID 98156442
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CID 55252779
(4aR,8aS,9aS,10aS)-10-methyl-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-acridine
CID 100964186
(4aR,7S,7aR)-7-methyl-1,2,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-3-one
CID 45098359
(1S,2R,6S,7R)-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 148604993
(1S,6S)-9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 124710287
(4R,6R)-4,6-dimethylazepan-2-one
CID 12689794
4-propan-2-ylpyrrolidin-2-one
CID 20976007
bis(aziridin-2-one);bis(4,6-dimethylazepan-2-one)
CID 158411276
(5R)-4,5-dimethylpiperidin-2-one
CID 55298895
CID 66603050
CID 66603050
(1R,6S)-9-propyl-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 51893383

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one?
The IUPAC name of (1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one (CID 98518623) is (1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one.
What is the SMILES notation for (1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one?
The canonical SMILES for (1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one is CN1[C@@H]2CNC(=O)C[C@@H]1[C@@H]1CC[C@@H]2C1.
What is the InChIKey of (1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one?
The InChIKey is WMMLURWWZAIQSL-ZYUZMQFOSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13-9-5-11(14)12-6-10(13)8-3-2-7(9)4-8/h7-10H,2-6H2,1H3,(H,12,14)/t7-,8-,9-,10-/m1/s1.
What are the key properties of (1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one?
(1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one has a molecular weight of 194.28 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one is sourced from PubChem (CID 98518623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).