1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one

C18H28N2O — CID 83113945

IUPAC1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCN(C)C1(Cn2ccc3c2CC(C)(C)CC3=O)CCCC1
InChIInChI=1S/C18H28N2O/c1-17(2)11-15-14(16(21)12-17)7-10-20(15)13-18(19(3)4)8-5-6-9-18/h7,10H,5-6,8-9,11-13H2,1-4H3
InChIKeyLMXPDVHFGORMOI-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.52
Rot. Bonds3

About 1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one

1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one (PubChem CID 83113945) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one
PubChem CID83113945
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCN(C)C1(Cn2ccc3c2CC(C)(C)CC3=O)CCCC1
InChIInChI=1S/C18H28N2O/c1-17(2)11-15-14(16(21)12-17)7-10-20(15)13-18(19(3)4)8-5-6-9-18/h7,10H,5-6,8-9,11-13H2,1-4H3
InChIKeyLMXPDVHFGORMOI-UHFFFAOYSA-N
XLogP3.52
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one (CID 83113945) is 1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one is CN(C)C1(Cn2ccc3c2CC(C)(C)CC3=O)CCCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one?
The InChIKey is LMXPDVHFGORMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-17(2)11-15-14(16(21)12-17)7-10-20(15)13-18(19(3)4)8-5-6-9-18/h7,10H,5-6,8-9,11-13H2,1-4H3.
What are the key properties of 1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one?
1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one has a molecular weight of 288.44 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 83113945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).