ethane;4-hydroxy-3-methyl-1H-quinolin-2-one

C14H21NO2 — CID 142092755

IUPACethane;4-hydroxy-3-methyl-1H-quinolin-2-one
SMILESCC.CC.Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C10H9NO2.2C2H6/c1-6-9(12)7-4-2-3-5-8(7)11-10(6)13;2*1-2/h2-5H,1H3,(H2,11,12,13);2*1-2H3
InChIKeySUAHWKYZMBYGPU-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.59
Rot. Bonds

About ethane;4-hydroxy-3-methyl-1H-quinolin-2-one

ethane;4-hydroxy-3-methyl-1H-quinolin-2-one (PubChem CID 142092755) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is ethane;4-hydroxy-3-methyl-1H-quinolin-2-one.

Molecular Properties

Compound Nameethane;4-hydroxy-3-methyl-1H-quinolin-2-one
PubChem CID142092755
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Nameethane;4-hydroxy-3-methyl-1H-quinolin-2-one
SMILESCC.CC.Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C10H9NO2.2C2H6/c1-6-9(12)7-4-2-3-5-8(7)11-10(6)13;2*1-2/h2-5H,1H3,(H2,11,12,13);2*1-2H3
InChIKeySUAHWKYZMBYGPU-UHFFFAOYSA-N
XLogP3.59
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-3-methyl-1H-quinolin-2-one?
The IUPAC name of ethane;4-hydroxy-3-methyl-1H-quinolin-2-one (CID 142092755) is ethane;4-hydroxy-3-methyl-1H-quinolin-2-one.
What is the SMILES notation for ethane;4-hydroxy-3-methyl-1H-quinolin-2-one?
The canonical SMILES for ethane;4-hydroxy-3-methyl-1H-quinolin-2-one is CC.CC.Cc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of ethane;4-hydroxy-3-methyl-1H-quinolin-2-one?
The InChIKey is SUAHWKYZMBYGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2.2C2H6/c1-6-9(12)7-4-2-3-5-8(7)11-10(6)13;2*1-2/h2-5H,1H3,(H2,11,12,13);2*1-2H3.
What are the key properties of ethane;4-hydroxy-3-methyl-1H-quinolin-2-one?
ethane;4-hydroxy-3-methyl-1H-quinolin-2-one has a molecular weight of 235.33 g/mol, XLogP of 3.59, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-3-methyl-1H-quinolin-2-one is sourced from PubChem (CID 142092755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).