(1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one

C9H16N2O — CID 75360754

IUPAC(1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
SMILESCN1C(=O)[C@@H]2CCC[C@@H]1CNC2
InChIInChI=1S/C9H16N2O/c1-11-8-4-2-3-7(9(11)12)5-10-6-8/h7-8,10H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyXVEWOCXKHJFPCH-HTQZYQBOSA-N
MW168.24 g/mol
LogP0.22
Rot. Bonds

About (1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one

(1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one (PubChem CID 75360754) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is (1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one.

Molecular Properties

Compound Name(1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
PubChem CID75360754
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name(1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
SMILESCN1C(=O)[C@@H]2CCC[C@@H]1CNC2
InChIInChI=1S/C9H16N2O/c1-11-8-4-2-3-7(9(11)12)5-10-6-8/h7-8,10H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyXVEWOCXKHJFPCH-HTQZYQBOSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
CID 78149814
3-tert-butyl-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
CID 159358190
9-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 18911
1-methyl-3-piperidin-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]imidazol-2-one
CID 166452879
3-methyl-3-azabicyclo[3.3.1]nonane-2,4-dione
CID 56620070
1-cyclopentyl-3-ethyl-6-methylpiperazine-2,5-dione
CID 64958453
3,9-diazabicyclo[3.3.1]nonan-9-amine
CID 155383691
(1S,5R)-3-[(E)-3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enoyl]-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one
CID 131925601
(3aR,6aS)-5-cyclohexyl-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-4,6-dione
CID 129493358
4-(azetidin-3-yl)-2-cyclobutyl-5-methyl-1H-imidazole
CID 105445538
1-cyclobutyl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969413
(1R,5R)-3-azabicyclo[3.2.1]octan-8-one
CID 98052490

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one?
The IUPAC name of (1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one (CID 75360754) is (1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one.
What is the SMILES notation for (1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one?
The canonical SMILES for (1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one is CN1C(=O)[C@@H]2CCC[C@@H]1CNC2.
What is the InChIKey of (1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one?
The InChIKey is XVEWOCXKHJFPCH-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11-8-4-2-3-7(9(11)12)5-10-6-8/h7-8,10H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one?
(1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one has a molecular weight of 168.24 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-9-methyl-3,9-diazabicyclo[3.3.2]decan-10-one is sourced from PubChem (CID 75360754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).