3-(methylamino)-5-(4-methylphenyl)oxolan-2-one

C12H15NO2 — CID 23008775

IUPAC3-(methylamino)-5-(4-methylphenyl)oxolan-2-one
SMILESCNC1CC(c2ccc(C)cc2)OC1=O
InChIInChI=1S/C12H15NO2/c1-8-3-5-9(6-4-8)11-7-10(13-2)12(14)15-11/h3-6,10-11,13H,7H2,1-2H3
InChIKeyNMBMJILLQJKCGH-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.57
Rot. Bonds2

About 3-(methylamino)-5-(4-methylphenyl)oxolan-2-one

3-(methylamino)-5-(4-methylphenyl)oxolan-2-one (PubChem CID 23008775) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-(methylamino)-5-(4-methylphenyl)oxolan-2-one.

Molecular Properties

Compound Name3-(methylamino)-5-(4-methylphenyl)oxolan-2-one
PubChem CID23008775
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-(methylamino)-5-(4-methylphenyl)oxolan-2-one
SMILESCNC1CC(c2ccc(C)cc2)OC1=O
InChIInChI=1S/C12H15NO2/c1-8-3-5-9(6-4-8)11-7-10(13-2)12(14)15-11/h3-6,10-11,13H,7H2,1-2H3
InChIKeyNMBMJILLQJKCGH-UHFFFAOYSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-5-(4-methylphenyl)oxolan-2-one?
The IUPAC name of 3-(methylamino)-5-(4-methylphenyl)oxolan-2-one (CID 23008775) is 3-(methylamino)-5-(4-methylphenyl)oxolan-2-one.
What is the SMILES notation for 3-(methylamino)-5-(4-methylphenyl)oxolan-2-one?
The canonical SMILES for 3-(methylamino)-5-(4-methylphenyl)oxolan-2-one is CNC1CC(c2ccc(C)cc2)OC1=O.
What is the InChIKey of 3-(methylamino)-5-(4-methylphenyl)oxolan-2-one?
The InChIKey is NMBMJILLQJKCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-3-5-9(6-4-8)11-7-10(13-2)12(14)15-11/h3-6,10-11,13H,7H2,1-2H3.
What are the key properties of 3-(methylamino)-5-(4-methylphenyl)oxolan-2-one?
3-(methylamino)-5-(4-methylphenyl)oxolan-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-5-(4-methylphenyl)oxolan-2-one is sourced from PubChem (CID 23008775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).