8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol

C11H13N3O3 — CID 11107308

IUPAC8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol
SMILESCC1(C)Oc2cc3nonc3cc2C(N)C1O
InChIInChI=1S/C11H13N3O3/c1-11(2)10(15)9(12)5-3-6-7(14-17-13-6)4-8(5)16-11/h3-4,9-10,15H,12H2,1-2H3
InChIKeyFZYAFWGKQZUGMW-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.75
Rot. Bonds

About 8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol

8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol (PubChem CID 11107308) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol.

Molecular Properties

Compound Name8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol
PubChem CID11107308
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol
SMILESCC1(C)Oc2cc3nonc3cc2C(N)C1O
InChIInChI=1S/C11H13N3O3/c1-11(2)10(15)9(12)5-3-6-7(14-17-13-6)4-8(5)16-11/h3-4,9-10,15H,12H2,1-2H3
InChIKeyFZYAFWGKQZUGMW-UHFFFAOYSA-N
XLogP0.75
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol?
The IUPAC name of 8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol (CID 11107308) is 8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol.
What is the SMILES notation for 8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol?
The canonical SMILES for 8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol is CC1(C)Oc2cc3nonc3cc2C(N)C1O.
What is the InChIKey of 8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol?
The InChIKey is FZYAFWGKQZUGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-11(2)10(15)9(12)5-3-6-7(14-17-13-6)4-8(5)16-11/h3-4,9-10,15H,12H2,1-2H3.
What are the key properties of 8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol?
8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol has a molecular weight of 235.24 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-7-ol is sourced from PubChem (CID 11107308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).