3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole

C6H8N2O — CID 82418896

IUPAC3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole
SMILESCc1noc2c1CNC2
InChIInChI=1S/C6H8N2O/c1-4-5-2-7-3-6(5)9-8-4/h7H,2-3H2,1H3
InChIKeyPFRUBLHLWUJTOL-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.59
Rot. Bonds

About 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole

3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole (PubChem CID 82418896) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole.

Molecular Properties

Compound Name3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole
PubChem CID82418896
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole
SMILESCc1noc2c1CNC2
InChIInChI=1S/C6H8N2O/c1-4-5-2-7-3-6(5)9-8-4/h7H,2-3H2,1H3
InChIKeyPFRUBLHLWUJTOL-UHFFFAOYSA-N
XLogP0.59
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole?
The IUPAC name of 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole (CID 82418896) is 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole.
What is the SMILES notation for 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole?
The canonical SMILES for 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole is Cc1noc2c1CNC2.
What is the InChIKey of 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole?
The InChIKey is PFRUBLHLWUJTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-4-5-2-7-3-6(5)9-8-4/h7H,2-3H2,1H3.
What are the key properties of 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole?
3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole has a molecular weight of 124.14 g/mol, XLogP of 0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,2]oxazole is sourced from PubChem (CID 82418896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).