(3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol

C7H9NO2 — CID 11298005

IUPAC(3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol
SMILESCC1=N[C@H]2[C@H](O)C=C[C@H]2O1
InChIInChI=1S/C7H9NO2/c1-4-8-7-5(9)2-3-6(7)10-4/h2-3,5-7,9H,1H3/t5-,6-,7+/m1/s1
InChIKeyRMMUEJYISQJFJO-QYNIQEEDSA-N
MW139.15 g/mol
LogP0.10
Rot. Bonds

About (3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol

(3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol (PubChem CID 11298005) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is (3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol.

Molecular Properties

Compound Name(3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol
PubChem CID11298005
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name(3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol
SMILESCC1=N[C@H]2[C@H](O)C=C[C@H]2O1
InChIInChI=1S/C7H9NO2/c1-4-8-7-5(9)2-3-6(7)10-4/h2-3,5-7,9H,1H3/t5-,6-,7+/m1/s1
InChIKeyRMMUEJYISQJFJO-QYNIQEEDSA-N
XLogP0.10
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol?
The IUPAC name of (3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol (CID 11298005) is (3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol.
What is the SMILES notation for (3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol?
The canonical SMILES for (3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol is CC1=N[C@H]2[C@H](O)C=C[C@H]2O1.
What is the InChIKey of (3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol?
The InChIKey is RMMUEJYISQJFJO-QYNIQEEDSA-N. The full InChI is InChI=1S/C7H9NO2/c1-4-8-7-5(9)2-3-6(7)10-4/h2-3,5-7,9H,1H3/t5-,6-,7+/m1/s1.
What are the key properties of (3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol?
(3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol has a molecular weight of 139.15 g/mol, XLogP of 0.10, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,6aR)-2-methyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]oxazol-4-ol is sourced from PubChem (CID 11298005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).