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

C8H13NO2 — CID 15930889

IUPAC7a-ethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
SMILESCCC12CCC(=O)N1CCO2
InChIInChI=1S/C8H13NO2/c1-2-8-4-3-7(10)9(8)5-6-11-8/h2-6H2,1H3
InChIKeyBNBAZUKYDMBURZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.75
Rot. Bonds1

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

7a-ethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one (PubChem CID 15930889) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 7a-ethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one.

Molecular Properties

Compound Name7a-ethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
PubChem CID15930889
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name7a-ethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
SMILESCCC12CCC(=O)N1CCO2
InChIInChI=1S/C8H13NO2/c1-2-8-4-3-7(10)9(8)5-6-11-8/h2-6H2,1H3
InChIKeyBNBAZUKYDMBURZ-UHFFFAOYSA-N
XLogP0.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7a-ethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7a-ethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
The IUPAC name of 7a-ethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one (CID 15930889) is 7a-ethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one.
What is the SMILES notation for 7a-ethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
The canonical SMILES for 7a-ethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one is CCC12CCC(=O)N1CCO2.
What is the InChIKey of 7a-ethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
The InChIKey is BNBAZUKYDMBURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-8-4-3-7(10)9(8)5-6-11-8/h2-6H2,1H3.
What are the key properties of 7a-ethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one?
7a-ethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one has a molecular weight of 155.20 g/mol, XLogP of 0.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-ethyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one is sourced from PubChem (CID 15930889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).