1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

C8H13NO2 — CID 154465346

IUPAC1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1(C)OCN2C(=O)CCC21
InChIInChI=1S/C8H13NO2/c1-8(2)6-3-4-7(10)9(6)5-11-8/h6H,3-5H2,1-2H3
InChIKeyVSJACDXMZJOUIQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.74
Rot. Bonds

About 1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 154465346) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID154465346
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1(C)OCN2C(=O)CCC21
InChIInChI=1S/C8H13NO2/c1-8(2)6-3-4-7(10)9(6)5-11-8/h6H,3-5H2,1-2H3
InChIKeyVSJACDXMZJOUIQ-UHFFFAOYSA-N
XLogP0.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 154465346) is 1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is CC1(C)OCN2C(=O)CCC21.
What is the InChIKey of 1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is VSJACDXMZJOUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2)6-3-4-7(10)9(6)5-11-8/h6H,3-5H2,1-2H3.
What are the key properties of 1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 154465346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).