(1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione

C12H18N2O2 — CID 98162011

IUPAC(1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione
SMILESCN1C(=O)[C@@H]2CC[C@H]1[C@@H]1CC[C@@H]2N(C)C1=O
InChIInChI=1S/C12H18N2O2/c1-13-9-5-3-8(11(13)15)10-6-4-7(9)12(16)14(10)2/h7-10H,3-6H2,1-2H3/t7-,8+,9-,10-/m0/s1
InChIKeyUQICOLYMZZOAKR-JXUBOQSCSA-N
MW222.29 g/mol
LogP0.47
Rot. Bonds

About (1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione

(1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione (PubChem CID 98162011) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione.

Molecular Properties

Compound Name(1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione
PubChem CID98162011
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione
SMILESCN1C(=O)[C@@H]2CC[C@H]1[C@@H]1CC[C@@H]2N(C)C1=O
InChIInChI=1S/C12H18N2O2/c1-13-9-5-3-8(11(13)15)10-6-4-7(9)12(16)14(10)2/h7-10H,3-6H2,1-2H3/t7-,8+,9-,10-/m0/s1
InChIKeyUQICOLYMZZOAKR-JXUBOQSCSA-N
XLogP0.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione?
The IUPAC name of (1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione (CID 98162011) is (1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione.
What is the SMILES notation for (1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione?
The canonical SMILES for (1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione is CN1C(=O)[C@@H]2CC[C@H]1[C@@H]1CC[C@@H]2N(C)C1=O.
What is the InChIKey of (1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione?
The InChIKey is UQICOLYMZZOAKR-JXUBOQSCSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-13-9-5-3-8(11(13)15)10-6-4-7(9)12(16)14(10)2/h7-10H,3-6H2,1-2H3/t7-,8+,9-,10-/m0/s1.
What are the key properties of (1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione?
(1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione has a molecular weight of 222.29 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,5S,6S)-3,7-dimethyl-3,7-diazatricyclo[4.2.2.22,5]dodecane-4,8-dione is sourced from PubChem (CID 98162011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).