methane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C11H17NO2 — CID 143337545

IUPACmethane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESC.CC12CCC(C1)[C@H]1C(=O)NC(=O)[C@H]12
InChIInChI=1S/C10H13NO2.CH4/c1-10-3-2-5(4-10)6-7(10)9(13)11-8(6)12;/h5-7H,2-4H2,1H3,(H,11,12,13);1H4/t5?,6-,7+,10?;/m1./s1
InChIKeyXPXMHMWCYYEKMD-ILFGRMNVSA-N
MW195.26 g/mol
LogP1.33
Rot. Bonds

About methane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

methane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 143337545) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is methane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Namemethane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID143337545
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namemethane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESC.CC12CCC(C1)[C@H]1C(=O)NC(=O)[C@H]12
InChIInChI=1S/C10H13NO2.CH4/c1-10-3-2-5(4-10)6-7(10)9(13)11-8(6)12;/h5-7H,2-4H2,1H3,(H,11,12,13);1H4/t5?,6-,7+,10?;/m1./s1
InChIKeyXPXMHMWCYYEKMD-ILFGRMNVSA-N
XLogP1.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of methane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 143337545) is methane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for methane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for methane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is C.CC12CCC(C1)[C@H]1C(=O)NC(=O)[C@H]12.
What is the InChIKey of methane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is XPXMHMWCYYEKMD-ILFGRMNVSA-N. The full InChI is InChI=1S/C10H13NO2.CH4/c1-10-3-2-5(4-10)6-7(10)9(13)11-8(6)12;/h5-7H,2-4H2,1H3,(H,11,12,13);1H4/t5?,6-,7+,10?;/m1./s1.
What are the key properties of methane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
methane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 195.26 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(2R,6R)-1-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 143337545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).