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

C14H17NO2 — CID 70073707

IUPAC3,3-dimethyl-6-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1(C)OCC2CC(c3ccccc3)C(=O)N21
InChIInChI=1S/C14H17NO2/c1-14(2)15-11(9-17-14)8-12(13(15)16)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3
InChIKeyRZSKKZVWFQWYES-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.14
Rot. Bonds1

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

3,3-dimethyl-6-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 70073707) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3,3-dimethyl-6-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name3,3-dimethyl-6-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID70073707
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3,3-dimethyl-6-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC1(C)OCC2CC(c3ccccc3)C(=O)N21
InChIInChI=1S/C14H17NO2/c1-14(2)15-11(9-17-14)8-12(13(15)16)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3
InChIKeyRZSKKZVWFQWYES-UHFFFAOYSA-N
XLogP2.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-6-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 3,3-dimethyl-6-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 70073707) is 3,3-dimethyl-6-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 3,3-dimethyl-6-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 3,3-dimethyl-6-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is CC1(C)OCC2CC(c3ccccc3)C(=O)N21.
What is the InChIKey of 3,3-dimethyl-6-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is RZSKKZVWFQWYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-14(2)15-11(9-17-14)8-12(13(15)16)10-6-4-3-5-7-10/h3-7,11-12H,8-9H2,1-2H3.
What are the key properties of 3,3-dimethyl-6-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
3,3-dimethyl-6-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 231.30 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-6-phenyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 70073707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).