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

C11H19NO2 — CID 142615649

IUPAC7-ethyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCCC1C(C)C(=O)N2C1COC2(C)C
InChIInChI=1S/C11H19NO2/c1-5-8-7(2)10(13)12-9(8)6-14-11(12,3)4/h7-9H,5-6H2,1-4H3
InChIKeyOPNWADJXOFUCEN-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.63
Rot. Bonds1

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

7-ethyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 142615649) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 7-ethyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name7-ethyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID142615649
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name7-ethyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCCC1C(C)C(=O)N2C1COC2(C)C
InChIInChI=1S/C11H19NO2/c1-5-8-7(2)10(13)12-9(8)6-14-11(12,3)4/h7-9H,5-6H2,1-4H3
InChIKeyOPNWADJXOFUCEN-UHFFFAOYSA-N
XLogP1.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of 7-ethyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 142615649) is 7-ethyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for 7-ethyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for 7-ethyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is CCC1C(C)C(=O)N2C1COC2(C)C.
What is the InChIKey of 7-ethyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is OPNWADJXOFUCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-8-7(2)10(13)12-9(8)6-14-11(12,3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 7-ethyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
7-ethyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 197.28 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,3,6-trimethyl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 142615649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).