(1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione

C12H18N2O2 — CID 146096855

IUPAC(1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione
SMILESCC1(C)NC(=O)C[C@@H]2[C@H]3CC[C@H](C3)N2C1=O
InChIInChI=1S/C12H18N2O2/c1-12(2)11(16)14-8-4-3-7(5-8)9(14)6-10(15)13-12/h7-9H,3-6H2,1-2H3,(H,13,15)/t7-,8+,9+/m0/s1
InChIKeyLJOQNHUEKNJBIX-DJLDLDEBSA-N
MW222.29 g/mol
LogP0.66
Rot. Bonds

About (1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione

(1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione (PubChem CID 146096855) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione.

Molecular Properties

Compound Name(1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione
PubChem CID146096855
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name(1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione
SMILESCC1(C)NC(=O)C[C@@H]2[C@H]3CC[C@H](C3)N2C1=O
InChIInChI=1S/C12H18N2O2/c1-12(2)11(16)14-8-4-3-7(5-8)9(14)6-10(15)13-12/h7-9H,3-6H2,1-2H3,(H,13,15)/t7-,8+,9+/m0/s1
InChIKeyLJOQNHUEKNJBIX-DJLDLDEBSA-N
XLogP0.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione with MolForge

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Related Compounds

1-cyclohexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione
CID 82936291
1-(3,4-dimethylcyclohexyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64973398
1-(1-azabicyclo[2.2.2]octan-3-yl)-3,3-dimethylpiperazine-2,5-dione
CID 64957953
1-(2-methoxyethyl)-3,3,7-trimethyl-1,4-diazepane-2,5-dione
CID 64883200
3,3,7-trimethyl-1-(3-methylbutyl)-1,4-diazepane-2,5-dione
CID 64883002
1-(3-methoxycyclohexyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64875190
1-(2,3-dimethylcyclopentyl)-3,3-dimethylpiperazine-2,5-dione
CID 64973347
(1R,2R,5R,6S)-11-methyl-8,11-diazatricyclo[4.4.1.12,5]dodecan-9-one
CID 98518623
1-hexyl-3,3,7-trimethyl-1,4-diazepane-2,5-dione
CID 64883585
3,3,7-trimethyl-1-nonyl-1,4-diazepane-2,5-dione
CID 64884576
3,3-dimethyl-1-(thiolan-3-yl)piperazine-2,5-dione
CID 103065085
3,3-dimethyl-1-(2-methylsulfanylcyclopentyl)piperazine-2,5-dione
CID 114121786

Frequently Asked Questions

What is the IUPAC name of (1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione?
The IUPAC name of (1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione (CID 146096855) is (1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione.
What is the SMILES notation for (1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione?
The canonical SMILES for (1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione is CC1(C)NC(=O)C[C@@H]2[C@H]3CC[C@H](C3)N2C1=O.
What is the InChIKey of (1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione?
The InChIKey is LJOQNHUEKNJBIX-DJLDLDEBSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2)11(16)14-8-4-3-7(5-8)9(14)6-10(15)13-12/h7-9H,3-6H2,1-2H3,(H,13,15)/t7-,8+,9+/m0/s1.
What are the key properties of (1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione?
(1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione has a molecular weight of 222.29 g/mol, XLogP of 0.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R,9S)-4,4-dimethyl-2,5-diazatricyclo[7.2.1.02,8]dodecane-3,6-dione is sourced from PubChem (CID 146096855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).