3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione

C13H13NO3 — CID 11020718

IUPAC3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione
SMILESO=C1OC(=O)N(Cc2ccccc2)C1C1CC1
InChIInChI=1S/C13H13NO3/c15-12-11(10-6-7-10)14(13(16)17-12)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyDNAZCKSRGWRGGU-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.94
Rot. Bonds3

About 3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione

3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione (PubChem CID 11020718) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione
PubChem CID11020718
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione
SMILESO=C1OC(=O)N(Cc2ccccc2)C1C1CC1
InChIInChI=1S/C13H13NO3/c15-12-11(10-6-7-10)14(13(16)17-12)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyDNAZCKSRGWRGGU-UHFFFAOYSA-N
XLogP1.94
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione?
The IUPAC name of 3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione (CID 11020718) is 3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione is O=C1OC(=O)N(Cc2ccccc2)C1C1CC1.
What is the InChIKey of 3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione?
The InChIKey is DNAZCKSRGWRGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-12-11(10-6-7-10)14(13(16)17-12)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of 3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione?
3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione has a molecular weight of 231.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-cyclopropyl-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 11020718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).