3aH-cyclopenta[d][1,2]oxazol-3-one

C6H5NO2 — CID 69374913

IUPAC3aH-cyclopenta[d][1,2]oxazol-3-one
SMILESO=C1NOC2=CC=CC12
InChIInChI=1S/C6H5NO2/c8-6-4-2-1-3-5(4)9-7-6/h1-4H,(H,7,8)
InChIKeyZERYZVIQPMCEBM-UHFFFAOYSA-N
MW123.11 g/mol
LogP0.12
Rot. Bonds

About 3aH-cyclopenta[d][1,2]oxazol-3-one

3aH-cyclopenta[d][1,2]oxazol-3-one (PubChem CID 69374913) has the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol. Its IUPAC name is 3aH-cyclopenta[d][1,2]oxazol-3-one.

Molecular Properties

Compound Name3aH-cyclopenta[d][1,2]oxazol-3-one
PubChem CID69374913
Molecular FormulaC6H5NO2
Molecular Weight123.11 g/mol
Exact Mass123.03
IUPAC Name3aH-cyclopenta[d][1,2]oxazol-3-one
SMILESO=C1NOC2=CC=CC12
InChIInChI=1S/C6H5NO2/c8-6-4-2-1-3-5(4)9-7-6/h1-4H,(H,7,8)
InChIKeyZERYZVIQPMCEBM-UHFFFAOYSA-N
XLogP0.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3aH-cyclopenta[d][1,2]oxazol-3-one?
The IUPAC name of 3aH-cyclopenta[d][1,2]oxazol-3-one (CID 69374913) is 3aH-cyclopenta[d][1,2]oxazol-3-one.
What is the SMILES notation for 3aH-cyclopenta[d][1,2]oxazol-3-one?
The canonical SMILES for 3aH-cyclopenta[d][1,2]oxazol-3-one is O=C1NOC2=CC=CC12.
What is the InChIKey of 3aH-cyclopenta[d][1,2]oxazol-3-one?
The InChIKey is ZERYZVIQPMCEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2/c8-6-4-2-1-3-5(4)9-7-6/h1-4H,(H,7,8).
What are the key properties of 3aH-cyclopenta[d][1,2]oxazol-3-one?
3aH-cyclopenta[d][1,2]oxazol-3-one has a molecular weight of 123.11 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3aH-cyclopenta[d][1,2]oxazol-3-one is sourced from PubChem (CID 69374913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).