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

C15H13Cl2NO — CID 60723538

IUPAC1-(2,5-dichlorophenyl)-2-methyl-6,7-dihydro-5H-indol-4-one
SMILESCc1cc2c(n1-c1cc(Cl)ccc1Cl)CCCC2=O
InChIInChI=1S/C15H13Cl2NO/c1-9-7-11-13(3-2-4-15(11)19)18(9)14-8-10(16)5-6-12(14)17/h5-8H,2-4H2,1H3
InChIKeyXYKYZPRVNJYKCR-UHFFFAOYSA-N
MW294.18 g/mol
LogP4.61
Rot. Bonds1

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

1-(2,5-dichlorophenyl)-2-methyl-6,7-dihydro-5H-indol-4-one (PubChem CID 60723538) has the molecular formula C15H13Cl2NO and a molecular weight of 294.18 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-methyl-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-methyl-6,7-dihydro-5H-indol-4-one
PubChem CID60723538
Molecular FormulaC15H13Cl2NO
Molecular Weight294.18 g/mol
Exact Mass293.04
IUPAC Name1-(2,5-dichlorophenyl)-2-methyl-6,7-dihydro-5H-indol-4-one
SMILESCc1cc2c(n1-c1cc(Cl)ccc1Cl)CCCC2=O
InChIInChI=1S/C15H13Cl2NO/c1-9-7-11-13(3-2-4-15(11)19)18(9)14-8-10(16)5-6-12(14)17/h5-8H,2-4H2,1H3
InChIKeyXYKYZPRVNJYKCR-UHFFFAOYSA-N
XLogP4.61
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.18
LogP ≤ 54.61
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 1-(2,5-dichlorophenyl)-2-methyl-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-methyl-6,7-dihydro-5H-indol-4-one (CID 60723538) is 1-(2,5-dichlorophenyl)-2-methyl-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-methyl-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-methyl-6,7-dihydro-5H-indol-4-one is Cc1cc2c(n1-c1cc(Cl)ccc1Cl)CCCC2=O.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-methyl-6,7-dihydro-5H-indol-4-one?
The InChIKey is XYKYZPRVNJYKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO/c1-9-7-11-13(3-2-4-15(11)19)18(9)14-8-10(16)5-6-12(14)17/h5-8H,2-4H2,1H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-methyl-6,7-dihydro-5H-indol-4-one?
1-(2,5-dichlorophenyl)-2-methyl-6,7-dihydro-5H-indol-4-one has a molecular weight of 294.18 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-methyl-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 60723538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).