(E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine

C9H13N3O2 — CID 51410702

IUPAC(E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine
SMILESCO/N=C1\CC(C)(C)Cc2nonc21
InChIInChI=1S/C9H13N3O2/c1-9(2)4-6(10-13-3)8-7(5-9)11-14-12-8/h4-5H2,1-3H3/b10-6+
InChIKeyUXCILXRWEOJICP-UXBLZVDNSA-N
MW195.22 g/mol
LogP1.39
Rot. Bonds1

About (E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine

(E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine (PubChem CID 51410702) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is (E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine.

Molecular Properties

Compound Name(E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine
PubChem CID51410702
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name(E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine
SMILESCO/N=C1\CC(C)(C)Cc2nonc21
InChIInChI=1S/C9H13N3O2/c1-9(2)4-6(10-13-3)8-7(5-9)11-14-12-8/h4-5H2,1-3H3/b10-6+
InChIKeyUXCILXRWEOJICP-UXBLZVDNSA-N
XLogP1.39
TPSA60.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine?
The IUPAC name of (E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine (CID 51410702) is (E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine.
What is the SMILES notation for (E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine?
The canonical SMILES for (E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine is CO/N=C1\CC(C)(C)Cc2nonc21.
What is the InChIKey of (E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine?
The InChIKey is UXCILXRWEOJICP-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-9(2)4-6(10-13-3)8-7(5-9)11-14-12-8/h4-5H2,1-3H3/b10-6+.
What are the key properties of (E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine?
(E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine has a molecular weight of 195.22 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-6,6-dimethyl-5,7-dihydro-2,1,3-benzoxadiazol-4-imine is sourced from PubChem (CID 51410702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).