2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone

C21H28N2O2 — CID 54226359

IUPAC2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccc2c(c1)CC(CC(=O)N1CCC[C@H]1C(=O)N1CCCC1)C2
InChIInChI=1S/C21H28N2O2/c1-15-6-7-17-12-16(13-18(17)11-15)14-20(24)23-10-4-5-19(23)21(25)22-8-2-3-9-22/h6-7,11,16,19H,2-5,8-10,12-14H2,1H3/t16?,19-/m0/s1
InChIKeyQGCZHKCATIEFQY-CVMIBEPCSA-N
MW340.47 g/mol
LogP2.71
Rot. Bonds3

About 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone

2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone (PubChem CID 54226359) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
PubChem CID54226359
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
SMILESCc1ccc2c(c1)CC(CC(=O)N1CCC[C@H]1C(=O)N1CCCC1)C2
InChIInChI=1S/C21H28N2O2/c1-15-6-7-17-12-16(13-18(17)11-15)14-20(24)23-10-4-5-19(23)21(25)22-8-2-3-9-22/h6-7,11,16,19H,2-5,8-10,12-14H2,1H3/t16?,19-/m0/s1
InChIKeyQGCZHKCATIEFQY-CVMIBEPCSA-N
XLogP2.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-[(2R)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 57276992
(2S)-1-[(2R)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
CID 67757838
6-methyl-3-[3-oxo-3-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]propyl]-1H-quinazoline-2,4-dione
CID 59940917
3,3-dimethyl-1,5-bis[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]pentane-1,5-dione
CID 10928641
methyl 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)acetate
CID 20765973
1-[2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 53015946
1-[(2R)-2-(azepane-1-carbonyl)pyrrolidin-1-yl]butan-1-one
CID 94582616
2-bromo-1-[2-(piperidine-1-carbonyl)pyrrolidin-1-yl]ethanone
CID 102537702
(2S)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 15021263
(2S)-1-[2-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 15021264
(2R)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 54196372
ethyl (2S)-1-[2-(1,2,3,4-tetrahydronaphthalen-2-yl)acetyl]pyrrolidine-2-carboxylate
CID 57027545

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone (CID 54226359) is 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone is Cc1ccc2c(c1)CC(CC(=O)N1CCC[C@H]1C(=O)N1CCCC1)C2.
What is the InChIKey of 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
The InChIKey is QGCZHKCATIEFQY-CVMIBEPCSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-15-6-7-17-12-16(13-18(17)11-15)14-20(24)23-10-4-5-19(23)21(25)22-8-2-3-9-22/h6-7,11,16,19H,2-5,8-10,12-14H2,1H3/t16?,19-/m0/s1.
What are the key properties of 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone?
2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone has a molecular weight of 340.47 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2,3-dihydro-1H-inden-2-yl)-1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 54226359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).