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

C18H21NO — CID 60723547

IUPAC2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
SMILESCc1cc2c(n1-c1ccc(C(C)C)cc1)CCCC2=O
InChIInChI=1S/C18H21NO/c1-12(2)14-7-9-15(10-8-14)19-13(3)11-16-17(19)5-4-6-18(16)20/h7-12H,4-6H2,1-3H3
InChIKeyTXOQYJWAKWVWPS-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.43
Rot. Bonds2

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

2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 60723547) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
PubChem CID60723547
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
SMILESCc1cc2c(n1-c1ccc(C(C)C)cc1)CCCC2=O
InChIInChI=1S/C18H21NO/c1-12(2)14-7-9-15(10-8-14)19-13(3)11-16-17(19)5-4-6-18(16)20/h7-12H,4-6H2,1-3H3
InChIKeyTXOQYJWAKWVWPS-UHFFFAOYSA-N
XLogP4.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.43
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-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one (CID 60723547) is 2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one is Cc1cc2c(n1-c1ccc(C(C)C)cc1)CCCC2=O.
What is the InChIKey of 2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is TXOQYJWAKWVWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-12(2)14-7-9-15(10-8-14)19-13(3)11-16-17(19)5-4-6-18(16)20/h7-12H,4-6H2,1-3H3.
What are the key properties of 2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 267.37 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 60723547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).