6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one

C7H8N2O2 — CID 154558688

IUPAC6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one
SMILESCC1(C)C(=O)Nc2ncoc21
InChIInChI=1S/C7H8N2O2/c1-7(2)4-5(8-3-11-4)9-6(7)10/h3H,1-2H3,(H,9,10)
InChIKeyFRUIAUUIOLTTEA-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.90
Rot. Bonds

About 6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one

6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one (PubChem CID 154558688) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one.

Molecular Properties

Compound Name6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one
PubChem CID154558688
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one
SMILESCC1(C)C(=O)Nc2ncoc21
InChIInChI=1S/C7H8N2O2/c1-7(2)4-5(8-3-11-4)9-6(7)10/h3H,1-2H3,(H,9,10)
InChIKeyFRUIAUUIOLTTEA-UHFFFAOYSA-N
XLogP0.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one?
The IUPAC name of 6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one (CID 154558688) is 6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one.
What is the SMILES notation for 6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one?
The canonical SMILES for 6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one is CC1(C)C(=O)Nc2ncoc21.
What is the InChIKey of 6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one?
The InChIKey is FRUIAUUIOLTTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c1-7(2)4-5(8-3-11-4)9-6(7)10/h3H,1-2H3,(H,9,10).
What are the key properties of 6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one?
6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one has a molecular weight of 152.15 g/mol, XLogP of 0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4H-pyrrolo[2,3-d][1,3]oxazol-5-one is sourced from PubChem (CID 154558688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).