ethane;2-methyl-3-propan-2-ylisoquinolin-1-one

C15H21NO — CID 144871823

IUPACethane;2-methyl-3-propan-2-ylisoquinolin-1-one
SMILESCC.CC(C)c1cc2ccccc2c(=O)n1C
InChIInChI=1S/C13H15NO.C2H6/c1-9(2)12-8-10-6-4-5-7-11(10)13(15)14(12)3;1-2/h4-9H,1-3H3;1-2H3
InChIKeyOZMDDMXSUBQWFG-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.69
Rot. Bonds1

About ethane;2-methyl-3-propan-2-ylisoquinolin-1-one

ethane;2-methyl-3-propan-2-ylisoquinolin-1-one (PubChem CID 144871823) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is ethane;2-methyl-3-propan-2-ylisoquinolin-1-one.

Molecular Properties

Compound Nameethane;2-methyl-3-propan-2-ylisoquinolin-1-one
PubChem CID144871823
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Nameethane;2-methyl-3-propan-2-ylisoquinolin-1-one
SMILESCC.CC(C)c1cc2ccccc2c(=O)n1C
InChIInChI=1S/C13H15NO.C2H6/c1-9(2)12-8-10-6-4-5-7-11(10)13(15)14(12)3;1-2/h4-9H,1-3H3;1-2H3
InChIKeyOZMDDMXSUBQWFG-UHFFFAOYSA-N
XLogP3.69
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-3-propan-2-ylisoquinolin-1-one?
The IUPAC name of ethane;2-methyl-3-propan-2-ylisoquinolin-1-one (CID 144871823) is ethane;2-methyl-3-propan-2-ylisoquinolin-1-one.
What is the SMILES notation for ethane;2-methyl-3-propan-2-ylisoquinolin-1-one?
The canonical SMILES for ethane;2-methyl-3-propan-2-ylisoquinolin-1-one is CC.CC(C)c1cc2ccccc2c(=O)n1C.
What is the InChIKey of ethane;2-methyl-3-propan-2-ylisoquinolin-1-one?
The InChIKey is OZMDDMXSUBQWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C2H6/c1-9(2)12-8-10-6-4-5-7-11(10)13(15)14(12)3;1-2/h4-9H,1-3H3;1-2H3.
What are the key properties of ethane;2-methyl-3-propan-2-ylisoquinolin-1-one?
ethane;2-methyl-3-propan-2-ylisoquinolin-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-3-propan-2-ylisoquinolin-1-one is sourced from PubChem (CID 144871823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).