ethane;8-methyl-2H-isoquinolin-1-one

C12H15NO — CID 142940495

IUPACethane;8-methyl-2H-isoquinolin-1-one
SMILESCC.Cc1cccc2cc[nH]c(=O)c12
InChIInChI=1S/C10H9NO.C2H6/c1-7-3-2-4-8-5-6-11-10(12)9(7)8;1-2/h2-6H,1H3,(H,11,12);1-2H3
InChIKeyRADRTMLTRGJXHB-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.86
Rot. Bonds

About ethane;8-methyl-2H-isoquinolin-1-one

ethane;8-methyl-2H-isoquinolin-1-one (PubChem CID 142940495) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is ethane;8-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Nameethane;8-methyl-2H-isoquinolin-1-one
PubChem CID142940495
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Nameethane;8-methyl-2H-isoquinolin-1-one
SMILESCC.Cc1cccc2cc[nH]c(=O)c12
InChIInChI=1S/C10H9NO.C2H6/c1-7-3-2-4-8-5-6-11-10(12)9(7)8;1-2/h2-6H,1H3,(H,11,12);1-2H3
InChIKeyRADRTMLTRGJXHB-UHFFFAOYSA-N
XLogP2.86
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-2H-isoquinolin-1-one?
The IUPAC name of ethane;8-methyl-2H-isoquinolin-1-one (CID 142940495) is ethane;8-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for ethane;8-methyl-2H-isoquinolin-1-one?
The canonical SMILES for ethane;8-methyl-2H-isoquinolin-1-one is CC.Cc1cccc2cc[nH]c(=O)c12.
What is the InChIKey of ethane;8-methyl-2H-isoquinolin-1-one?
The InChIKey is RADRTMLTRGJXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C2H6/c1-7-3-2-4-8-5-6-11-10(12)9(7)8;1-2/h2-6H,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;8-methyl-2H-isoquinolin-1-one?
ethane;8-methyl-2H-isoquinolin-1-one has a molecular weight of 189.26 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 142940495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).