(3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide

C13H15NO3 — CID 929902

IUPAC(3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide
SMILESCC1(C)OC(=O)C[C@@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C13H15NO3/c1-13(2)10(8-11(15)17-13)12(16)14-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyZYKOBPVQPYYISF-SNVBAGLBSA-N
MW233.27 g/mol
LogP1.97
Rot. Bonds2

About (3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide

(3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide (PubChem CID 929902) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is (3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide
PubChem CID929902
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name(3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide
SMILESCC1(C)OC(=O)C[C@@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C13H15NO3/c1-13(2)10(8-11(15)17-13)12(16)14-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,14,16)/t10-/m1/s1
InChIKeyZYKOBPVQPYYISF-SNVBAGLBSA-N
XLogP1.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide?
The IUPAC name of (3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide (CID 929902) is (3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide.
What is the SMILES notation for (3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide?
The canonical SMILES for (3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide is CC1(C)OC(=O)C[C@@H]1C(=O)Nc1ccccc1.
What is the InChIKey of (3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide?
The InChIKey is ZYKOBPVQPYYISF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15NO3/c1-13(2)10(8-11(15)17-13)12(16)14-9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3,(H,14,16)/t10-/m1/s1.
What are the key properties of (3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide?
(3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide is sourced from PubChem (CID 929902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).