2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one

C13H17NO2 — CID 3375106

IUPAC2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one
SMILESCCCOc1cccc2c1CCN(C)C2=O
InChIInChI=1S/C13H17NO2/c1-3-9-16-12-6-4-5-11-10(12)7-8-14(2)13(11)15/h4-6H,3,7-9H2,1-2H3
InChIKeyNRVGIUIDIXFACA-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.10
Rot. Bonds3

About 2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one

2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one (PubChem CID 3375106) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one
PubChem CID3375106
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one
SMILESCCCOc1cccc2c1CCN(C)C2=O
InChIInChI=1S/C13H17NO2/c1-3-9-16-12-6-4-5-11-10(12)7-8-14(2)13(11)15/h4-6H,3,7-9H2,1-2H3
InChIKeyNRVGIUIDIXFACA-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one (CID 3375106) is 2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one is CCCOc1cccc2c1CCN(C)C2=O.
What is the InChIKey of 2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one?
The InChIKey is NRVGIUIDIXFACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-9-16-12-6-4-5-11-10(12)7-8-14(2)13(11)15/h4-6H,3,7-9H2,1-2H3.
What are the key properties of 2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one?
2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one has a molecular weight of 219.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propoxy-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 3375106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).