1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one

C14H13NO — CID 59143000

IUPAC1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one
SMILESCc1c2c(c[nH]c1=O)CCc1ccccc1-2
InChIInChI=1S/C14H13NO/c1-9-13-11(8-15-14(9)16)7-6-10-4-2-3-5-12(10)13/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyMAERMBODIRASEU-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.45
Rot. Bonds

About 1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one

1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one (PubChem CID 59143000) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one.

Molecular Properties

Compound Name1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one
PubChem CID59143000
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one
SMILESCc1c2c(c[nH]c1=O)CCc1ccccc1-2
InChIInChI=1S/C14H13NO/c1-9-13-11(8-15-14(9)16)7-6-10-4-2-3-5-12(10)13/h2-5,8H,6-7H2,1H3,(H,15,16)
InChIKeyMAERMBODIRASEU-UHFFFAOYSA-N
XLogP2.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 134848386
4-acetyl-1-propan-2-yl-5,6-dihydro-2H-benzo[h]isoquinolin-3-one
CID 101362971
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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one?
The IUPAC name of 1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one (CID 59143000) is 1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one.
What is the SMILES notation for 1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one?
The canonical SMILES for 1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one is Cc1c2c(c[nH]c1=O)CCc1ccccc1-2.
What is the InChIKey of 1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one?
The InChIKey is MAERMBODIRASEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-9-13-11(8-15-14(9)16)7-6-10-4-2-3-5-12(10)13/h2-5,8H,6-7H2,1H3,(H,15,16).
What are the key properties of 1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one?
1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one has a molecular weight of 211.26 g/mol, XLogP of 2.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5,6-dihydro-3H-benzo[f]isoquinolin-2-one is sourced from PubChem (CID 59143000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).