5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one

C17H21NO2 — CID 107176338

IUPAC5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)C3CCCC3(C)C)ccc21
InChIInChI=1S/C17H21NO2/c1-17(2)8-4-5-13(17)16(20)11-6-7-14-12(9-11)10-15(19)18(14)3/h6-7,9,13H,4-5,8,10H2,1-3H3
InChIKeyRZFGQXPLVKWOSL-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.21
Rot. Bonds2

About 5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one

5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one (PubChem CID 107176338) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one
PubChem CID107176338
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(=O)C3CCCC3(C)C)ccc21
InChIInChI=1S/C17H21NO2/c1-17(2)8-4-5-13(17)16(20)11-6-7-14-12(9-11)10-15(19)18(14)3/h6-7,9,13H,4-5,8,10H2,1-3H3
InChIKeyRZFGQXPLVKWOSL-UHFFFAOYSA-N
XLogP3.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dimethylbenzoyl)-1-methyl-3H-indol-2-one
CID 43161351
N-cycloheptyl-1-methyl-2-oxo-3H-indole-5-carboxamide
CID 52986175
5-[bromo-(2,2-dimethylcyclopentyl)methyl]-1-methyl-3H-indol-2-one
CID 107182248
N,1-dimethyl-2-oxo-3H-indole-5-carboxamide
CID 116827613
5-(4-hydroxypiperidine-1-carbonyl)-1-methyl-3H-indol-2-one
CID 96669462
6-(2,2-dimethylcyclopentanecarbonyl)-4H-1,4-benzoxazin-3-one
CID 107176343
(3,4-dimethoxyphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176305
5-(1-aminocyclopentyl)-1-methyl-3H-indol-2-one
CID 82288908
(4-tert-butylphenyl)-(2,2-dimethylcyclohexyl)methanone
CID 107176238
N',N',1-trimethyl-2-oxo-3H-indole-5-carbohydrazide
CID 116847960
1-methyl-5-[3-(oxan-2-yl)propanoyl]-3H-indol-2-one
CID 63951120
1-methyl-6-(1-methylcyclopropanecarbonyl)-3,4-dihydroquinolin-2-one
CID 82293701

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one?
The IUPAC name of 5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one (CID 107176338) is 5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(=O)C3CCCC3(C)C)ccc21.
What is the InChIKey of 5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one?
The InChIKey is RZFGQXPLVKWOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-17(2)8-4-5-13(17)16(20)11-6-7-14-12(9-11)10-15(19)18(14)3/h6-7,9,13H,4-5,8,10H2,1-3H3.
What are the key properties of 5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one?
5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one has a molecular weight of 271.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclopentanecarbonyl)-1-methyl-3H-indol-2-one is sourced from PubChem (CID 107176338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).