5-methyl-2-oxo-N-phenyloxolane-3-carboxamide

C12H13NO3 — CID 3492260

IUPAC5-methyl-2-oxo-N-phenyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2ccccc2)C(=O)O1
InChIInChI=1S/C12H13NO3/c1-8-7-10(12(15)16-8)11(14)13-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,14)
InChIKeyBVNMEBSCBSVFRO-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.58
Rot. Bonds2

About 5-methyl-2-oxo-N-phenyloxolane-3-carboxamide

5-methyl-2-oxo-N-phenyloxolane-3-carboxamide (PubChem CID 3492260) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-methyl-2-oxo-N-phenyloxolane-3-carboxamide.

Molecular Properties

Compound Name5-methyl-2-oxo-N-phenyloxolane-3-carboxamide
PubChem CID3492260
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name5-methyl-2-oxo-N-phenyloxolane-3-carboxamide
SMILESCC1CC(C(=O)Nc2ccccc2)C(=O)O1
InChIInChI=1S/C12H13NO3/c1-8-7-10(12(15)16-8)11(14)13-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,14)
InChIKeyBVNMEBSCBSVFRO-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
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 5-methyl-2-oxo-N-phenyloxolane-3-carboxamide?
The IUPAC name of 5-methyl-2-oxo-N-phenyloxolane-3-carboxamide (CID 3492260) is 5-methyl-2-oxo-N-phenyloxolane-3-carboxamide.
What is the SMILES notation for 5-methyl-2-oxo-N-phenyloxolane-3-carboxamide?
The canonical SMILES for 5-methyl-2-oxo-N-phenyloxolane-3-carboxamide is CC1CC(C(=O)Nc2ccccc2)C(=O)O1.
What is the InChIKey of 5-methyl-2-oxo-N-phenyloxolane-3-carboxamide?
The InChIKey is BVNMEBSCBSVFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8-7-10(12(15)16-8)11(14)13-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3,(H,13,14).
What are the key properties of 5-methyl-2-oxo-N-phenyloxolane-3-carboxamide?
5-methyl-2-oxo-N-phenyloxolane-3-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-oxo-N-phenyloxolane-3-carboxamide is sourced from PubChem (CID 3492260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).