2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one

C16H17NO — CID 2998089

IUPAC2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one
SMILESCc1ccc(-n2c(C)cc3c2CCCC3=O)cc1
InChIInChI=1S/C16H17NO/c1-11-6-8-13(9-7-11)17-12(2)10-14-15(17)4-3-5-16(14)18/h6-10H,3-5H2,1-2H3
InChIKeyRWILEQZAPCYZJL-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.61
Rot. Bonds1

About 2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one

2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 2998089) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one
PubChem CID2998089
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one
SMILESCc1ccc(-n2c(C)cc3c2CCCC3=O)cc1
InChIInChI=1S/C16H17NO/c1-11-6-8-13(9-7-11)17-12(2)10-14-15(17)4-3-5-16(14)18/h6-10H,3-5H2,1-2H3
InChIKeyRWILEQZAPCYZJL-UHFFFAOYSA-N
XLogP3.61
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one (CID 2998089) is 2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one is Cc1ccc(-n2c(C)cc3c2CCCC3=O)cc1.
What is the InChIKey of 2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is RWILEQZAPCYZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-6-8-13(9-7-11)17-12(2)10-14-15(17)4-3-5-16(14)18/h6-10H,3-5H2,1-2H3.
What are the key properties of 2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one?
2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 239.32 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylphenyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 2998089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).