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

C19H23NO — CID 4530144

IUPAC2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
SMILESCc1cc2c(n1-c1ccc(C(C)C)cc1)CC(C)CC2=O
InChIInChI=1S/C19H23NO/c1-12(2)15-5-7-16(8-6-15)20-14(4)11-17-18(20)9-13(3)10-19(17)21/h5-8,11-13H,9-10H2,1-4H3
InChIKeyGIVUPPANHSMATO-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.67
Rot. Bonds2

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

2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one (PubChem CID 4530144) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one.

Molecular Properties

Compound Name2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
PubChem CID4530144
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one
SMILESCc1cc2c(n1-c1ccc(C(C)C)cc1)CC(C)CC2=O
InChIInChI=1S/C19H23NO/c1-12(2)15-5-7-16(8-6-15)20-14(4)11-17-18(20)9-13(3)10-19(17)21/h5-8,11-13H,9-10H2,1-4H3
InChIKeyGIVUPPANHSMATO-UHFFFAOYSA-N
XLogP4.67
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.67
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 2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
The IUPAC name of 2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one (CID 4530144) is 2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one.
What is the SMILES notation for 2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
The canonical SMILES for 2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one is Cc1cc2c(n1-c1ccc(C(C)C)cc1)CC(C)CC2=O.
What is the InChIKey of 2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
The InChIKey is GIVUPPANHSMATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-12(2)15-5-7-16(8-6-15)20-14(4)11-17-18(20)9-13(3)10-19(17)21/h5-8,11-13H,9-10H2,1-4H3.
What are the key properties of 2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one?
2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one has a molecular weight of 281.40 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-1-(4-propan-2-ylphenyl)-6,7-dihydro-5H-indol-4-one is sourced from PubChem (CID 4530144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).