4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one

C8H13NO2 — CID 143563145

IUPAC4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one
SMILESCC1CC(=O)C2(C)OCNC12
InChIInChI=1S/C8H13NO2/c1-5-3-6(10)8(2)7(5)9-4-11-8/h5,7,9H,3-4H2,1-2H3
InChIKeyLYROPONRJWHWCI-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.30
Rot. Bonds

About 4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one

4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one (PubChem CID 143563145) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one.

Molecular Properties

Compound Name4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one
PubChem CID143563145
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one
SMILESCC1CC(=O)C2(C)OCNC12
InChIInChI=1S/C8H13NO2/c1-5-3-6(10)8(2)7(5)9-4-11-8/h5,7,9H,3-4H2,1-2H3
InChIKeyLYROPONRJWHWCI-UHFFFAOYSA-N
XLogP0.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-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 4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one?
The IUPAC name of 4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one (CID 143563145) is 4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one.
What is the SMILES notation for 4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one?
The canonical SMILES for 4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one is CC1CC(=O)C2(C)OCNC12.
What is the InChIKey of 4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one?
The InChIKey is LYROPONRJWHWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-3-6(10)8(2)7(5)9-4-11-8/h5,7,9H,3-4H2,1-2H3.
What are the key properties of 4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one?
4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one has a molecular weight of 155.20 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6a-dimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[d][1,3]oxazol-6-one is sourced from PubChem (CID 143563145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).