1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone

C15H20N2O — CID 82097094

IUPAC1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone
SMILESCC1Cc2cc(C(=O)CN3CCCC3)ccc2N1
InChIInChI=1S/C15H20N2O/c1-11-8-13-9-12(4-5-14(13)16-11)15(18)10-17-6-2-3-7-17/h4-5,9,11,16H,2-3,6-8,10H2,1H3
InChIKeyJTJYAOHIDWICHF-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.32
Rot. Bonds3

About 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone

1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone (PubChem CID 82097094) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone
PubChem CID82097094
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone
SMILESCC1Cc2cc(C(=O)CN3CCCC3)ccc2N1
InChIInChI=1S/C15H20N2O/c1-11-8-13-9-12(4-5-14(13)16-11)15(18)10-17-6-2-3-7-17/h4-5,9,11,16H,2-3,6-8,10H2,1H3
InChIKeyJTJYAOHIDWICHF-UHFFFAOYSA-N
XLogP2.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)ethanone
CID 82256396
3-methyl-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82032484
cyclohexyl-(2-methyl-2,3-dihydro-1H-indol-5-yl)methanone
CID 82032485
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-piperidin-1-ylpropan-1-one
CID 82256463
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-(2-morpholin-4-ylethylamino)ethanone
CID 82257951
2-(4-ethylpiperazin-1-yl)-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82256446
1-(2,3-dihydro-1H-indol-5-yl)-2-(3-methylpiperidin-1-yl)ethanone
CID 82102438
2-(4-ethylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 93191615
1-(2,3-dihydro-1H-inden-5-yl)-2-(4-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 114679215
2-(4-acetylpiperazin-1-yl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110368694
2-[bis(2-hydroxyethyl)amino]-1-(2-methyl-2,3-dihydro-1H-indol-5-yl)propan-1-one
CID 82256439
1-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperidine-4-carboxamide
CID 82104485

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone (CID 82097094) is 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone is CC1Cc2cc(C(=O)CN3CCCC3)ccc2N1.
What is the InChIKey of 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone?
The InChIKey is JTJYAOHIDWICHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-11-8-13-9-12(4-5-14(13)16-11)15(18)10-17-6-2-3-7-17/h4-5,9,11,16H,2-3,6-8,10H2,1H3.
What are the key properties of 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone?
1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone has a molecular weight of 244.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 82097094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).