1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one

C12H11NO2 — CID 102260085

IUPAC1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one
SMILESCn1c(=O)c([C@H]2CO2)cc2ccccc21
InChIInChI=1S/C12H11NO2/c1-13-10-5-3-2-4-8(10)6-9(12(13)14)11-7-15-11/h2-6,11H,7H2,1H3/t11-/m1/s1
InChIKeyMFGLWLTVWLQCEY-LLVKDONJSA-N
MW201.23 g/mol
LogP1.61
Rot. Bonds1

About 1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one

1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one (PubChem CID 102260085) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one
PubChem CID102260085
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one
SMILESCn1c(=O)c([C@H]2CO2)cc2ccccc21
InChIInChI=1S/C12H11NO2/c1-13-10-5-3-2-4-8(10)6-9(12(13)14)11-7-15-11/h2-6,11H,7H2,1H3/t11-/m1/s1
InChIKeyMFGLWLTVWLQCEY-LLVKDONJSA-N
XLogP1.61
TPSA34.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one?
The IUPAC name of 1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one (CID 102260085) is 1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one.
What is the SMILES notation for 1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one?
The canonical SMILES for 1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one is Cn1c(=O)c([C@H]2CO2)cc2ccccc21.
What is the InChIKey of 1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one?
The InChIKey is MFGLWLTVWLQCEY-LLVKDONJSA-N. The full InChI is InChI=1S/C12H11NO2/c1-13-10-5-3-2-4-8(10)6-9(12(13)14)11-7-15-11/h2-6,11H,7H2,1H3/t11-/m1/s1.
What are the key properties of 1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one?
1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2S)-oxiran-2-yl]quinolin-2-one is sourced from PubChem (CID 102260085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).