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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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).