ethane;3-methyl-2H-isoquinolin-1-one

C14H21NO — CID 144810835

IUPACethane;3-methyl-2H-isoquinolin-1-one
SMILESCC.CC.Cc1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C10H9NO.2C2H6/c1-7-6-8-4-2-3-5-9(8)10(12)11-7;2*1-2/h2-6H,1H3,(H,11,12);2*1-2H3
InChIKeyQNNWJBLAVIUFNB-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.89
Rot. Bonds

About ethane;3-methyl-2H-isoquinolin-1-one

ethane;3-methyl-2H-isoquinolin-1-one (PubChem CID 144810835) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is ethane;3-methyl-2H-isoquinolin-1-one.

Molecular Properties

Compound Nameethane;3-methyl-2H-isoquinolin-1-one
PubChem CID144810835
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Nameethane;3-methyl-2H-isoquinolin-1-one
SMILESCC.CC.Cc1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C10H9NO.2C2H6/c1-7-6-8-4-2-3-5-9(8)10(12)11-7;2*1-2/h2-6H,1H3,(H,11,12);2*1-2H3
InChIKeyQNNWJBLAVIUFNB-UHFFFAOYSA-N
XLogP3.89
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2H-isoquinolin-1-one;3-methyl-4-nitro-2H-isoquinolin-1-one
CID 160598821
3-methyl-2H-2-benzazepine-1,5-dione
CID 15271398
3-(4-methylanilino)-2H-isoquinolin-1-one
CID 5130755
3-methyl-5-sulfanyl-2H-isoquinolin-1-one
CID 142195677
3-(4-methylthiophen-2-yl)-2H-isoquinolin-1-one
CID 69181532
N,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 47120487
7-azatetracyclo[11.3.1.05,16.09,14]heptadeca-1(17),2,4,9,11,13,15-heptaene-6,8-dione
CID 173336202
8-chloro-3-methyl-2H-isoquinolin-1-one
CID 114517583
3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 12529019
1-oxo-2H-isoquinoline-3-sulfonamide
CID 54290067
3-(propylamino)-2H-isoquinolin-1-one
CID 60922442
2,3-dimethylisoquinolin-1-one;ethane
CID 91490725

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-2H-isoquinolin-1-one?
The IUPAC name of ethane;3-methyl-2H-isoquinolin-1-one (CID 144810835) is ethane;3-methyl-2H-isoquinolin-1-one.
What is the SMILES notation for ethane;3-methyl-2H-isoquinolin-1-one?
The canonical SMILES for ethane;3-methyl-2H-isoquinolin-1-one is CC.CC.Cc1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of ethane;3-methyl-2H-isoquinolin-1-one?
The InChIKey is QNNWJBLAVIUFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.2C2H6/c1-7-6-8-4-2-3-5-9(8)10(12)11-7;2*1-2/h2-6H,1H3,(H,11,12);2*1-2H3.
What are the key properties of ethane;3-methyl-2H-isoquinolin-1-one?
ethane;3-methyl-2H-isoquinolin-1-one has a molecular weight of 219.33 g/mol, XLogP of 3.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-2H-isoquinolin-1-one is sourced from PubChem (CID 144810835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).