2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione

C18H24N2O2 — CID 108958516

IUPAC2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
SMILESCC1Cc2ccccc2N1C(=O)C(C)(C)C(=O)N1CCCC1
InChIInChI=1S/C18H24N2O2/c1-13-12-14-8-4-5-9-15(14)20(13)17(22)18(2,3)16(21)19-10-6-7-11-19/h4-5,8-9,13H,6-7,10-12H2,1-3H3
InChIKeyJZXPYVGOQFRIBD-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.61
Rot. Bonds2

About 2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione

2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione (PubChem CID 108958516) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione.

Molecular Properties

Compound Name2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
PubChem CID108958516
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
SMILESCC1Cc2ccccc2N1C(=O)C(C)(C)C(=O)N1CCCC1
InChIInChI=1S/C18H24N2O2/c1-13-12-14-8-4-5-9-15(14)20(13)17(22)18(2,3)16(21)19-10-6-7-11-19/h4-5,8-9,13H,6-7,10-12H2,1-3H3
InChIKeyJZXPYVGOQFRIBD-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(3-methylpiperidin-1-yl)propane-1,3-dione
CID 108966814
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propane-1,3-dione
CID 108965609
[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971730
N-(4-tert-butylphenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108968686
N-(3,5-dichlorophenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108970085
N-benzyl-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxo-N-propan-2-ylpropanamide
CID 108966235
2-(4-fluorophenyl)-2-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 113197482
N-(3,4-dimethylphenyl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108967984
N-[2-(dimethylamino)ethyl]-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108960333
(4-tert-butylphenyl)-[(2R)-2-methyl-2,3-dihydroindol-1-yl]methanone
CID 42065881
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-dimethyl-3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropanamide
CID 108970024

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione?
The IUPAC name of 2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione (CID 108958516) is 2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione.
What is the SMILES notation for 2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione?
The canonical SMILES for 2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione is CC1Cc2ccccc2N1C(=O)C(C)(C)C(=O)N1CCCC1.
What is the InChIKey of 2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione?
The InChIKey is JZXPYVGOQFRIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-12-14-8-4-5-9-15(14)20(13)17(22)18(2,3)16(21)19-10-6-7-11-19/h4-5,8-9,13H,6-7,10-12H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione?
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione has a molecular weight of 300.40 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione is sourced from PubChem (CID 108958516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).