3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol

C8H15NO2 — CID 123749242

IUPAC3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol
SMILESCC1(C)OCC2CCC(O)N21
InChIInChI=1S/C8H15NO2/c1-8(2)9-6(5-11-8)3-4-7(9)10/h6-7,10H,3-5H2,1-2H3
InChIKeyUEWNBKZAJSRMPJ-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.54
Rot. Bonds

About 3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol

3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol (PubChem CID 123749242) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol.

Molecular Properties

Compound Name3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol
PubChem CID123749242
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol
SMILESCC1(C)OCC2CCC(O)N21
InChIInChI=1S/C8H15NO2/c1-8(2)9-6(5-11-8)3-4-7(9)10/h6-7,10H,3-5H2,1-2H3
InChIKeyUEWNBKZAJSRMPJ-UHFFFAOYSA-N
XLogP0.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol?
The IUPAC name of 3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol (CID 123749242) is 3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol.
What is the SMILES notation for 3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol?
The canonical SMILES for 3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol is CC1(C)OCC2CCC(O)N21.
What is the InChIKey of 3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol?
The InChIKey is UEWNBKZAJSRMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(2)9-6(5-11-8)3-4-7(9)10/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol?
3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol has a molecular weight of 157.21 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-ol is sourced from PubChem (CID 123749242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).