(1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

C10H13NO4 — CID 102484573

IUPAC(1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H](O)[C@H]3O)[C@@H]2C1=O
InChIInChI=1S/C10H13NO4/c1-11-9(14)5-3-2-4(6(5)10(11)15)8(13)7(3)12/h3-8,12-13H,2H2,1H3/t3-,4+,5-,6+,7-,8-/m0/s1
InChIKeyOKTAUWNTPQJXOD-QXFQYNETSA-N
MW211.22 g/mol
LogP-1.41
Rot. Bonds

About (1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione

(1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (PubChem CID 102484573) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is (1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.

Molecular Properties

Compound Name(1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
PubChem CID102484573
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name(1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
SMILESCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H](O)[C@H]3O)[C@@H]2C1=O
InChIInChI=1S/C10H13NO4/c1-11-9(14)5-3-2-4(6(5)10(11)15)8(13)7(3)12/h3-8,12-13H,2H2,1H3/t3-,4+,5-,6+,7-,8-/m0/s1
InChIKeyOKTAUWNTPQJXOD-QXFQYNETSA-N
XLogP-1.41
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-Cyclohexyl-9-hydroxy-7-oxa-5-azatetracyclo[6.3.0.02,6.03,10]undecan-4-one
CID 43859595
(1r,2r,6s,7s,8s,9s)-4-Amino-8,9-dihydroxy-4-azatricyclo[5,2,1,0 2,6]decane-3,5-dione
CID 129757055
(9-Hydroxy-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl) acetate
CID 57702226
(1S,2R,6S,7R,8S,9S)-8,9-dihydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 58279944
(8S,9R)-8,9-dihydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 58279945
(8S)-8,9-dihydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 58279946
rac-(3aS,4R,5S,7R,7aR)-5-hydroxyhexahydro-1H-4,7-methanoisoindole-1,3-dione
CID 58279952
(1S,2R,6S,7R,8R,9S)-8,9-dihydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 58279955
Ethanone;(9-hydroxy-3,5-dioxo-4-azanidatricyclo[5.2.1.02,6]decan-8-yl) acetate;yttrium
CID 58843019
(1S,2R,6S,7R,8S)-8-hydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 59293608
8,9-Dihydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 68340284
(1R,2S,6R,7S)-8,9-dihydroxy-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 68340287

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The IUPAC name of (1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione (CID 102484573) is (1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione.
What is the SMILES notation for (1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The canonical SMILES for (1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H](O)[C@H]3O)[C@@H]2C1=O.
What is the InChIKey of (1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
The InChIKey is OKTAUWNTPQJXOD-QXFQYNETSA-N. The full InChI is InChI=1S/C10H13NO4/c1-11-9(14)5-3-2-4(6(5)10(11)15)8(13)7(3)12/h3-8,12-13H,2H2,1H3/t3-,4+,5-,6+,7-,8-/m0/s1.
What are the key properties of (1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione?
(1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione has a molecular weight of 211.22 g/mol, XLogP of -1.41, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S,7S,8S,9S)-8,9-dihydroxy-4-methyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione is sourced from PubChem (CID 102484573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).