3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one

C10H11NO3 — CID 91194782

IUPAC3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one
SMILESO=C1CC2CCC1c1c(O)[nH]c(O)c12
InChIInChI=1S/C10H11NO3/c12-6-3-4-1-2-5(6)8-7(4)9(13)11-10(8)14/h4-5,11,13-14H,1-3H2
InChIKeyKYFHPPUTIFRAFH-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.36
Rot. Bonds

About 3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one

3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one (PubChem CID 91194782) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one.

Molecular Properties

Compound Name3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one
PubChem CID91194782
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one
SMILESO=C1CC2CCC1c1c(O)[nH]c(O)c12
InChIInChI=1S/C10H11NO3/c12-6-3-4-1-2-5(6)8-7(4)9(13)11-10(8)14/h4-5,11,13-14H,1-3H2
InChIKeyKYFHPPUTIFRAFH-UHFFFAOYSA-N
XLogP1.36
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one?
The IUPAC name of 3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one (CID 91194782) is 3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one.
What is the SMILES notation for 3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one?
The canonical SMILES for 3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one is O=C1CC2CCC1c1c(O)[nH]c(O)c12.
What is the InChIKey of 3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one?
The InChIKey is KYFHPPUTIFRAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-6-3-4-1-2-5(6)8-7(4)9(13)11-10(8)14/h4-5,11,13-14H,1-3H2.
What are the key properties of 3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one?
3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one has a molecular weight of 193.20 g/mol, XLogP of 1.36, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-4-azatricyclo[5.2.2.02,6]undeca-2,5-dien-8-one is sourced from PubChem (CID 91194782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).