6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one

C7H9NO2 — CID 59155286

IUPAC6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESCC1=CC2COC(=O)N2C1
InChIInChI=1S/C7H9NO2/c1-5-2-6-4-10-7(9)8(6)3-5/h2,6H,3-4H2,1H3
InChIKeySDYYJQSMZZHLFU-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.77
Rot. Bonds

About 6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one

6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (PubChem CID 59155286) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.

Molecular Properties

Compound Name6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
PubChem CID59155286
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
SMILESCC1=CC2COC(=O)N2C1
InChIInChI=1S/C7H9NO2/c1-5-2-6-4-10-7(9)8(6)3-5/h2,6H,3-4H2,1H3
InChIKeySDYYJQSMZZHLFU-UHFFFAOYSA-N
XLogP0.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The IUPAC name of 6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one (CID 59155286) is 6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one.
What is the SMILES notation for 6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The canonical SMILES for 6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is CC1=CC2COC(=O)N2C1.
What is the InChIKey of 6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
The InChIKey is SDYYJQSMZZHLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-2-6-4-10-7(9)8(6)3-5/h2,6H,3-4H2,1H3.
What are the key properties of 6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one?
6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one has a molecular weight of 139.15 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one is sourced from PubChem (CID 59155286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).