2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane

C15H25NO — CID 142177778

IUPAC2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane
SMILESCC.CC.CC1C(=O)N(C)Cc2ccccc21
InChIInChI=1S/C11H13NO.2C2H6/c1-8-10-6-4-3-5-9(10)7-12(2)11(8)13;2*1-2/h3-6,8H,7H2,1-2H3;2*1-2H3
InChIKeyCPSWRDXRRIERCP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.81
Rot. Bonds

About 2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane

2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane (PubChem CID 142177778) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane.

Molecular Properties

Compound Name2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane
PubChem CID142177778
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane
SMILESCC.CC.CC1C(=O)N(C)Cc2ccccc21
InChIInChI=1S/C11H13NO.2C2H6/c1-8-10-6-4-3-5-9(10)7-12(2)11(8)13;2*1-2/h3-6,8H,7H2,1-2H3;2*1-2H3
InChIKeyCPSWRDXRRIERCP-UHFFFAOYSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane?
The IUPAC name of 2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane (CID 142177778) is 2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane.
What is the SMILES notation for 2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane?
The canonical SMILES for 2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane is CC.CC.CC1C(=O)N(C)Cc2ccccc21.
What is the InChIKey of 2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane?
The InChIKey is CPSWRDXRRIERCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.2C2H6/c1-8-10-6-4-3-5-9(10)7-12(2)11(8)13;2*1-2/h3-6,8H,7H2,1-2H3;2*1-2H3.
What are the key properties of 2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane?
2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane has a molecular weight of 235.37 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,4-dihydroisoquinolin-3-one;ethane is sourced from PubChem (CID 142177778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).