4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene

C7H7NO2 — CID 140999334

IUPAC4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene
SMILESCc1ncc2ooc2c1C
InChIInChI=1S/C7H7NO2/c1-4-5(2)8-3-6-7(4)10-9-6/h3H,1-2H3
InChIKeyPIKRIRSGBKIFTI-UHFFFAOYSA-N
MW137.14 g/mol
LogP2.04
Rot. Bonds

About 4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene

4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene (PubChem CID 140999334) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene.

Molecular Properties

Compound Name4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene
PubChem CID140999334
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene
SMILESCc1ncc2ooc2c1C
InChIInChI=1S/C7H7NO2/c1-4-5(2)8-3-6-7(4)10-9-6/h3H,1-2H3
InChIKeyPIKRIRSGBKIFTI-UHFFFAOYSA-N
XLogP2.04
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,4,5-tetramethylpyridine;hydrate
CID 175106370
4-bromo-2,3,5-trimethylpyridine
CID 58742154
molecular hydrogen;2,3,4,5-tetramethylpyridine
CID 174963511
ethane;4-methoxy-2,3,5-trimethylpyridine
CID 143004126
ethane;5-fluoro-2,3,4-trimethylpyridine
CID 177369282
4-methoxy-5,6-dimethylpyridin-3-ol
CID 15163512
4-methoxy-2,3-dimethyl-5-propan-2-ylpyridine
CID 176811168
4,5-dimethyl-3-azabicyclo[4.2.0]octa-1,3,5-triene
CID 155051971
4-methoxy-5,6-dimethylpyridine-3-carbonitrile
CID 163496494
4-chloro-5-methoxy-2,3-dimethylpyridine
CID 123946881
4,7-dimethyloxadiazolo[4,5-c]pyridine
CID 146577165
2,3,5-trimethylpyridine-4-carboxamide
CID 118022841

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene?
The IUPAC name of 4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene (CID 140999334) is 4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene.
What is the SMILES notation for 4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene?
The canonical SMILES for 4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene is Cc1ncc2ooc2c1C.
What is the InChIKey of 4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene?
The InChIKey is PIKRIRSGBKIFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-4-5(2)8-3-6-7(4)10-9-6/h3H,1-2H3.
What are the key properties of 4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene?
4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene has a molecular weight of 137.14 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-7,8-dioxa-3-azabicyclo[4.2.0]octa-1,3,5-triene is sourced from PubChem (CID 140999334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).