2-oxo-N-phenyloxolane-3-carboxamide

C11H11NO3 — CID 5056456

IUPAC2-oxo-N-phenyloxolane-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCOC1=O
InChIInChI=1S/C11H11NO3/c13-10(9-6-7-15-11(9)14)12-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
InChIKeyHZKDGULCAUQBIM-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.19
Rot. Bonds2

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

2-oxo-N-phenyloxolane-3-carboxamide (PubChem CID 5056456) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-oxo-N-phenyloxolane-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-phenyloxolane-3-carboxamide
PubChem CID5056456
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-oxo-N-phenyloxolane-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCOC1=O
InChIInChI=1S/C11H11NO3/c13-10(9-6-7-15-11(9)14)12-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)
InChIKeyHZKDGULCAUQBIM-UHFFFAOYSA-N
XLogP1.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.19
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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Related Compounds

5-methyl-2-oxo-N-phenyloxolane-3-carboxamide
CID 3492260
2-oxo-N-phenyl-5-propyltetrahydro-3-furancarboxamide
CID 4523608
5,5-dimethyl-2-oxo-N-phenyltetrahydro-3-furancarboxamide
CID 3473493
5-ethyl-2-oxo-N-phenyltetrahydro-3-furancarboxamide
CID 3492256
5-isopropyl-2-oxo-N-phenyltetrahydro-3-furancarboxamide
CID 3492261
Ethyl 1-(4-fluorophenylcarbamoyl)cyclopropanecarboxylate
CID 56956060
2-(Phenylcarbamoyl)acetic acid
CID 256593
Propanoic acid, 3-((4-methylphenyl)amino)-3-oxo-, ethyl ester
CID 155874
Methyl 4-anilino-4-oxobutanoate
CID 224712
5-octyl-2-oxo-N-phenyltetrahydro-3-furancarboxamide
CID 4523466
Diethyl 2-(anilinocarbonyl)malonate
CID 296058
Aniline derivative
CID 139070881

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-phenyloxolane-3-carboxamide?
The IUPAC name of 2-oxo-N-phenyloxolane-3-carboxamide (CID 5056456) is 2-oxo-N-phenyloxolane-3-carboxamide.
What is the SMILES notation for 2-oxo-N-phenyloxolane-3-carboxamide?
The canonical SMILES for 2-oxo-N-phenyloxolane-3-carboxamide is O=C(Nc1ccccc1)C1CCOC1=O.
What is the InChIKey of 2-oxo-N-phenyloxolane-3-carboxamide?
The InChIKey is HZKDGULCAUQBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10(9-6-7-15-11(9)14)12-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13).
What are the key properties of 2-oxo-N-phenyloxolane-3-carboxamide?
2-oxo-N-phenyloxolane-3-carboxamide has a molecular weight of 205.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-phenyloxolane-3-carboxamide is sourced from PubChem (CID 5056456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).