(1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one

C9H10N2O5 — CID 10632980

IUPAC(1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one
SMILESO=c1ccn2c(n1)OC[C@H]1O[C@@H]2[C@H](O)[C@@H]1O
InChIInChI=1S/C9H10N2O5/c12-5-1-2-11-8-7(14)6(13)4(16-8)3-15-9(11)10-5/h1-2,4,6-8,13-14H,3H2/t4-,6-,7-,8-/m1/s1
InChIKeyMKCYQFMOYLEXRF-XVFCMESISA-N
MW226.19 g/mol
LogP-1.75
Rot. Bonds

About (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one

(1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one (PubChem CID 10632980) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one.

Molecular Properties

Compound Name(1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one
PubChem CID10632980
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name(1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one
SMILESO=c1ccn2c(n1)OC[C@H]1O[C@@H]2[C@H](O)[C@@H]1O
InChIInChI=1S/C9H10N2O5/c12-5-1-2-11-8-7(14)6(13)4(16-8)3-15-9(11)10-5/h1-2,4,6-8,13-14H,3H2/t4-,6-,7-,8-/m1/s1
InChIKeyMKCYQFMOYLEXRF-XVFCMESISA-N
XLogP-1.75
TPSA93.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one?
The IUPAC name of (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one (CID 10632980) is (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one.
What is the SMILES notation for (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one?
The canonical SMILES for (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one is O=c1ccn2c(n1)OC[C@H]1O[C@@H]2[C@H](O)[C@@H]1O.
What is the InChIKey of (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one?
The InChIKey is MKCYQFMOYLEXRF-XVFCMESISA-N. The full InChI is InChI=1S/C9H10N2O5/c12-5-1-2-11-8-7(14)6(13)4(16-8)3-15-9(11)10-5/h1-2,4,6-8,13-14H,3H2/t4-,6-,7-,8-/m1/s1.
What are the key properties of (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one?
(1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one has a molecular weight of 226.19 g/mol, XLogP of -1.75, 0 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10R,11S,12R)-11,12-dihydroxy-8,13-dioxa-2,6-diazatricyclo[8.2.1.02,7]trideca-3,6-dien-5-one is sourced from PubChem (CID 10632980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).