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

C17H25NO — CID 55261214

IUPAC6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2ccn(CC3(C)CCCC3)c2C1
InChIInChI=1S/C17H25NO/c1-16(2)10-14-13(15(19)11-16)6-9-18(14)12-17(3)7-4-5-8-17/h6,9H,4-5,7-8,10-12H2,1-3H3
InChIKeyZAYPIGBHWDNNHM-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.22
Rot. Bonds2

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

6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one (PubChem CID 55261214) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one
PubChem CID55261214
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2ccn(CC3(C)CCCC3)c2C1
InChIInChI=1S/C17H25NO/c1-16(2)10-14-13(15(19)11-16)6-9-18(14)12-17(3)7-4-5-8-17/h6,9H,4-5,7-8,10-12H2,1-3H3
InChIKeyZAYPIGBHWDNNHM-UHFFFAOYSA-N
XLogP4.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(dimethylamino)cyclopentyl]methyl]-6,6-dimethyl-5,7-dihydroindol-4-one
CID 83113945
1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 63465339
1-(2-cyclopentylethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 55191900
6,6-dimethyl-1-(5-methylhexyl)-5,7-dihydroindol-4-one
CID 113287789
6,6-dimethyl-1-[2-[methyl(propan-2-yl)amino]ethyl]-5,7-dihydroindol-4-one
CID 62640255
1-(3-ethylpentan-3-yl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 65039119
6,6-dimethyl-1-[(3-methyl-4-pyridinyl)methyl]-5,7-dihydroindol-4-one
CID 114701766
6,6-dimethyl-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-5,7-dihydroindol-4-one
CID 106039210
1-[(1-methylcyclopentyl)methyl]pyridin-2-one
CID 130578511
6,6-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]-5,7-dihydroindol-4-one
CID 64530173
1-(2-hydroxycyclohexyl)-6,6-dimethyl-5,7-dihydroindol-4-one
CID 62359808
6,6-dimethyl-1-(5-methylhexan-2-yl)-5,7-dihydroindol-4-one
CID 63925944

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one?
The IUPAC name of 6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one (CID 55261214) is 6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one.
What is the SMILES notation for 6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one?
The canonical SMILES for 6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one is CC1(C)CC(=O)c2ccn(CC3(C)CCCC3)c2C1.
What is the InChIKey of 6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one?
The InChIKey is ZAYPIGBHWDNNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2)10-14-13(15(19)11-16)6-9-18(14)12-17(3)7-4-5-8-17/h6,9H,4-5,7-8,10-12H2,1-3H3.
What are the key properties of 6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one?
6,6-dimethyl-1-[(1-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one has a molecular weight of 259.39 g/mol, XLogP of 4.22, 2 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-methylcyclopentyl)methyl]-5,7-dihydroindol-4-one is sourced from PubChem (CID 55261214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).