(2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

C16H22N2O — CID 83080337

IUPAC(2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCCC1(C(=O)N2c3ccccc3CC2C)CCCN1
InChIInChI=1S/C16H22N2O/c1-3-16(9-6-10-17-16)15(19)18-12(2)11-13-7-4-5-8-14(13)18/h4-5,7-8,12,17H,3,6,9-11H2,1-2H3
InChIKeyLLZDEIORTMWBET-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.50
Rot. Bonds2

About (2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone

(2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 83080337) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is (2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID83080337
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name(2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCCC1(C(=O)N2c3ccccc3CC2C)CCCN1
InChIInChI=1S/C16H22N2O/c1-3-16(9-6-10-17-16)15(19)18-12(2)11-13-7-4-5-8-14(13)18/h4-5,7-8,12,17H,3,6,9-11H2,1-2H3
InChIKeyLLZDEIORTMWBET-UHFFFAOYSA-N
XLogP2.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylpyrrolidine-2-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 83065070
(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63132696
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55034928
[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
CID 108971730
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile
CID 60677912
1-[(2-ethylpyrrolidin-2-yl)methyl]-2-methyl-2,3-dihydroindole
CID 83074635
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 64685929
(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 115293542
(1-amino-3-methylcyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 64549601
[(2S)-2-methyl-2,3-dihydroindol-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 42587064
1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43437065
(2-methyl-2,3-dihydroindol-1-yl)-[(3R)-piperidin-3-yl]methanone
CID 81123977

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of (2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 83080337) is (2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for (2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for (2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is CCC1(C(=O)N2c3ccccc3CC2C)CCCN1.
What is the InChIKey of (2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is LLZDEIORTMWBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-3-16(9-6-10-17-16)15(19)18-12(2)11-13-7-4-5-8-14(13)18/h4-5,7-8,12,17H,3,6,9-11H2,1-2H3.
What are the key properties of (2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone?
(2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 258.37 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 83080337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).