1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione

C16H18N2O2 — CID 7087146

IUPAC1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
SMILESCc1c(C(=O)C(=O)N2CCCC2)c2ccccc2n1C
InChIInChI=1S/C16H18N2O2/c1-11-14(12-7-3-4-8-13(12)17(11)2)15(19)16(20)18-9-5-6-10-18/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyGMSSRBKTXKHFTD-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.29
Rot. Bonds2

About 1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione

1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione (PubChem CID 7087146) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione.

Molecular Properties

Compound Name1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
PubChem CID7087146
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
SMILESCc1c(C(=O)C(=O)N2CCCC2)c2ccccc2n1C
InChIInChI=1S/C16H18N2O2/c1-11-14(12-7-3-4-8-13(12)17(11)2)15(19)16(20)18-9-5-6-10-18/h3-4,7-8H,5-6,9-10H2,1-2H3
InChIKeyGMSSRBKTXKHFTD-UHFFFAOYSA-N
XLogP2.29
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl (3R)-1-[2-(1,2-dimethylindol-3-yl)-2-oxoacetyl]piperidine-3-carboxylate
CID 7087159
1-(1,2-dimethylindol-3-yl)-2-[(2R)-2-ethylpiperidin-1-yl]ethane-1,2-dione
CID 7087156
cyclopentyl-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]methanone
CID 110801629
(1,2-dimethylindol-3-yl)-piperazin-1-ylmethanone
CID 82300062
(1,2-dimethylindol-3-yl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809906
2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone
CID 110768819
1-(1,2-dimethylindol-3-yl)-2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethane-1,2-dione
CID 7087317
methyl 4-(1,2-dimethylindole-3-carbonyl)piperazine-1-carboxylate
CID 110803299
1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione
CID 5296340
1-[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110803980
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815350
[4-(1,2-dimethylindole-3-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110801875

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
The IUPAC name of 1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione (CID 7087146) is 1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione.
What is the SMILES notation for 1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
The canonical SMILES for 1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione is Cc1c(C(=O)C(=O)N2CCCC2)c2ccccc2n1C.
What is the InChIKey of 1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
The InChIKey is GMSSRBKTXKHFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-14(12-7-3-4-8-13(12)17(11)2)15(19)16(20)18-9-5-6-10-18/h3-4,7-8H,5-6,9-10H2,1-2H3.
What are the key properties of 1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione?
1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione has a molecular weight of 270.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylindol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione is sourced from PubChem (CID 7087146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).