3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol

C7H11NO2 — CID 13012667

IUPAC3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol
SMILESCC1=NOC2CCC(O)C12
InChIInChI=1S/C7H11NO2/c1-4-7-5(9)2-3-6(7)10-8-4/h5-7,9H,2-3H2,1H3
InChIKeyIWSCGXIFSZFMGL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.53
Rot. Bonds

About 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol

3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol (PubChem CID 13012667) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol.

Molecular Properties

Compound Name3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol
PubChem CID13012667
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol
SMILESCC1=NOC2CCC(O)C12
InChIInChI=1S/C7H11NO2/c1-4-7-5(9)2-3-6(7)10-8-4/h5-7,9H,2-3H2,1H3
InChIKeyIWSCGXIFSZFMGL-UHFFFAOYSA-N
XLogP0.53
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol 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 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol?
The IUPAC name of 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol (CID 13012667) is 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol.
What is the SMILES notation for 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol?
The canonical SMILES for 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol is CC1=NOC2CCC(O)C12.
What is the InChIKey of 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol?
The InChIKey is IWSCGXIFSZFMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-4-7-5(9)2-3-6(7)10-8-4/h5-7,9H,2-3H2,1H3.
What are the key properties of 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol?
3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol has a molecular weight of 141.17 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazol-4-ol is sourced from PubChem (CID 13012667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).