1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone

C18H25NO — CID 83219100

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
SMILESCCC1CCC(C)N1CC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H25NO/c1-3-17-10-7-13(2)19(17)12-18(20)16-9-8-14-5-4-6-15(14)11-16/h8-9,11,13,17H,3-7,10,12H2,1-2H3
InChIKeyOOLMSTFUNWXKIU-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.62
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone

1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone (PubChem CID 83219100) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
PubChem CID83219100
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
SMILESCCC1CCC(C)N1CC(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C18H25NO/c1-3-17-10-7-13(2)19(17)12-18(20)16-9-8-14-5-4-6-15(14)11-16/h8-9,11,13,17H,3-7,10,12H2,1-2H3
InChIKeyOOLMSTFUNWXKIU-UHFFFAOYSA-N
XLogP3.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83219776
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-propylpiperidin-1-yl)ethanone
CID 83045729
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114679215
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-3,5-dimethyl-1,3,5-triazinane-2,4,6-trione
CID 91962402
1-ethyl-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]imidazolidine-2,4,5-trione
CID 7824027
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62943961
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 83220278
1-butyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 7738283
1-(3,4-dimethylphenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 93026208
1-cyclohexyl-3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
CID 34606806
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 83219914

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone (CID 83219100) is 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone is CCC1CCC(C)N1CC(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
The InChIKey is OOLMSTFUNWXKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-17-10-7-13(2)19(17)12-18(20)16-9-8-14-5-4-6-15(14)11-16/h8-9,11,13,17H,3-7,10,12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone?
1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone has a molecular weight of 271.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 83219100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).