N-(2-oxo-5-phenyloxolan-3-yl)acetamide

C12H13NO3 — CID 134861792

IUPACN-(2-oxo-5-phenyloxolan-3-yl)acetamide
SMILESCC(=O)NC1CC(c2ccccc2)OC1=O
InChIInChI=1S/C12H13NO3/c1-8(14)13-10-7-11(16-12(10)15)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3,(H,13,14)
InChIKeyCQEPPQSCSVHMDE-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.18
Rot. Bonds2

About N-(2-oxo-5-phenyloxolan-3-yl)acetamide

N-(2-oxo-5-phenyloxolan-3-yl)acetamide (PubChem CID 134861792) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(2-oxo-5-phenyloxolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-oxo-5-phenyloxolan-3-yl)acetamide
PubChem CID134861792
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-(2-oxo-5-phenyloxolan-3-yl)acetamide
SMILESCC(=O)NC1CC(c2ccccc2)OC1=O
InChIInChI=1S/C12H13NO3/c1-8(14)13-10-7-11(16-12(10)15)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3,(H,13,14)
InChIKeyCQEPPQSCSVHMDE-UHFFFAOYSA-N
XLogP1.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-5-phenyloxolan-3-yl)acetamide?
The IUPAC name of N-(2-oxo-5-phenyloxolan-3-yl)acetamide (CID 134861792) is N-(2-oxo-5-phenyloxolan-3-yl)acetamide.
What is the SMILES notation for N-(2-oxo-5-phenyloxolan-3-yl)acetamide?
The canonical SMILES for N-(2-oxo-5-phenyloxolan-3-yl)acetamide is CC(=O)NC1CC(c2ccccc2)OC1=O.
What is the InChIKey of N-(2-oxo-5-phenyloxolan-3-yl)acetamide?
The InChIKey is CQEPPQSCSVHMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(14)13-10-7-11(16-12(10)15)9-5-3-2-4-6-9/h2-6,10-11H,7H2,1H3,(H,13,14).
What are the key properties of N-(2-oxo-5-phenyloxolan-3-yl)acetamide?
N-(2-oxo-5-phenyloxolan-3-yl)acetamide has a molecular weight of 219.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-5-phenyloxolan-3-yl)acetamide is sourced from PubChem (CID 134861792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).