1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone

C12H20N2O2 — CID 131631975

IUPAC1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CC2CCC1C1CNCC21
InChIInChI=1S/C12H20N2O2/c1-16-7-12(15)14-6-8-2-3-11(14)10-5-13-4-9(8)10/h8-11,13H,2-7H2,1H3
InChIKeyZHUZVJZXMNOWQK-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.09
Rot. Bonds2

About 1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone

1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone (PubChem CID 131631975) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone
PubChem CID131631975
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CC2CCC1C1CNCC21
InChIInChI=1S/C12H20N2O2/c1-16-7-12(15)14-6-8-2-3-11(14)10-5-13-4-9(8)10/h8-11,13H,2-7H2,1H3
InChIKeyZHUZVJZXMNOWQK-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,2S,6S,7S)-4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl]-2-phenylethanone
CID 125455519
1-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-methoxyethanone
CID 76897398
N-(1-bicyclo[2.2.1]heptanylmethyl)-4,8-diazatricyclo[5.2.2.02,6]undecane-8-carboxamide
CID 166252372
3-methoxy-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propan-1-one
CID 66211098
methyl 3-ethyl-1,3,3a,4,5,6,7,7a-octahydropyrrolo[3,4-c]pyridine-2-carboxylate
CID 83848928
cyclopropyl-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 66210068
(1R,2S,6R,7S)-10-methyl-4,10-diazatricyclo[5.2.1.02,6]decane
CID 131034211
1-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-2-methoxyethanone
CID 130657748
1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-phenoxyethanone
CID 66207936
2-cyclopropyl-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 66208410
5-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl)pyrrolidin-2-one
CID 66208703
1-(3,4-dimethylpiperidin-1-yl)-2-methoxyethanone
CID 115871790

Frequently Asked Questions

What is the IUPAC name of 1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone?
The IUPAC name of 1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone (CID 131631975) is 1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone?
The canonical SMILES for 1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone is COCC(=O)N1CC2CCC1C1CNCC21.
What is the InChIKey of 1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone?
The InChIKey is ZHUZVJZXMNOWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-16-7-12(15)14-6-8-2-3-11(14)10-5-13-4-9(8)10/h8-11,13H,2-7H2,1H3.
What are the key properties of 1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone?
1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone has a molecular weight of 224.30 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,8-diazatricyclo[5.2.2.02,6]undecan-8-yl)-2-methoxyethanone is sourced from PubChem (CID 131631975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).