6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one

C12H11NO2 — CID 135080246

IUPAC6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C3CO3)cc2c1
InChIInChI=1S/C12H11NO2/c1-7-2-3-10-8(4-7)5-9(11-6-15-11)12(14)13-10/h2-5,11H,6H2,1H3,(H,13,14)
InChIKeyDWIDLJPCSRQEDM-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.91
Rot. Bonds1

About 6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one

6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one (PubChem CID 135080246) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one
PubChem CID135080246
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one
SMILESCc1ccc2[nH]c(=O)c(C3CO3)cc2c1
InChIInChI=1S/C12H11NO2/c1-7-2-3-10-8(4-7)5-9(11-6-15-11)12(14)13-10/h2-5,11H,6H2,1H3,(H,13,14)
InChIKeyDWIDLJPCSRQEDM-UHFFFAOYSA-N
XLogP1.91
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one?
The IUPAC name of 6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one (CID 135080246) is 6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one is Cc1ccc2[nH]c(=O)c(C3CO3)cc2c1.
What is the InChIKey of 6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one?
The InChIKey is DWIDLJPCSRQEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-7-2-3-10-8(4-7)5-9(11-6-15-11)12(14)13-10/h2-5,11H,6H2,1H3,(H,13,14).
What are the key properties of 6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one?
6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one has a molecular weight of 201.22 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(oxiran-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 135080246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).