6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one

C19H23NO — CID 62303894

IUPAC6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one
SMILESCCC(c1ccccc1)n1ccc2c1CC(C)(C)CC2=O
InChIInChI=1S/C19H23NO/c1-4-16(14-8-6-5-7-9-14)20-11-10-15-17(20)12-19(2,3)13-18(15)21/h5-11,16H,4,12-13H2,1-3H3
InChIKeyICLDPFGZGJBFQG-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.64
Rot. Bonds3

About 6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one

6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one (PubChem CID 62303894) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is 6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one
PubChem CID62303894
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one
SMILESCCC(c1ccccc1)n1ccc2c1CC(C)(C)CC2=O
InChIInChI=1S/C19H23NO/c1-4-16(14-8-6-5-7-9-14)20-11-10-15-17(20)12-19(2,3)13-18(15)21/h5-11,16H,4,12-13H2,1-3H3
InChIKeyICLDPFGZGJBFQG-UHFFFAOYSA-N
XLogP4.64
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one?
The IUPAC name of 6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one (CID 62303894) is 6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one.
What is the SMILES notation for 6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one?
The canonical SMILES for 6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one is CCC(c1ccccc1)n1ccc2c1CC(C)(C)CC2=O.
What is the InChIKey of 6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one?
The InChIKey is ICLDPFGZGJBFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-4-16(14-8-6-5-7-9-14)20-11-10-15-17(20)12-19(2,3)13-18(15)21/h5-11,16H,4,12-13H2,1-3H3.
What are the key properties of 6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one?
6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one has a molecular weight of 281.40 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(1-phenylpropyl)-5,7-dihydroindol-4-one is sourced from PubChem (CID 62303894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).