2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone

C15H20N2O — CID 76895259

IUPAC2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C15H20N2O/c1-2-12-7-5-9-17(12)15(18)14-10-11-6-3-4-8-13(11)16-14/h3-4,6,8,12,14,16H,2,5,7,9-10H2,1H3
InChIKeyZMRMKAILBPUYEV-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.42
Rot. Bonds2

About 2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone

2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone (PubChem CID 76895259) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone
PubChem CID76895259
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone
SMILESCCC1CCCN1C(=O)C1Cc2ccccc2N1
InChIInChI=1S/C15H20N2O/c1-2-12-7-5-9-17(12)15(18)14-10-11-6-3-4-8-13(11)16-14/h3-4,6,8,12,14,16H,2,5,7,9-10H2,1H3
InChIKeyZMRMKAILBPUYEV-UHFFFAOYSA-N
XLogP2.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidin-2-yl]acetic acid
CID 61371354
2,3-dihydro-1H-indol-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116634670
[(2S)-2,3-dihydro-1H-indol-2-yl]-(3-ethylmorpholin-4-yl)methanone
CID 61155795
2,3-dihydro-1H-indol-2-yl-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83228185
[(2S)-2,3-dihydro-1H-indol-2-yl]-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61156453
methyl 1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]pyrrolidine-2-carboxylate
CID 61163706
1-[(2S)-2,3-dihydro-1H-indole-2-carbonyl]piperidine-2-carboxylic acid
CID 61158469
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
2,3-dihydro-1H-indol-2-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 76894849
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 62889291
1-[(2S)-2,3-dihydro-1H-indol-2-yl]propan-1-one
CID 67580634

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone (CID 76895259) is 2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone is CCC1CCCN1C(=O)C1Cc2ccccc2N1.
What is the InChIKey of 2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone?
The InChIKey is ZMRMKAILBPUYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-12-7-5-9-17(12)15(18)14-10-11-6-3-4-8-13(11)16-14/h3-4,6,8,12,14,16H,2,5,7,9-10H2,1H3.
What are the key properties of 2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone?
2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone has a molecular weight of 244.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-2-yl-(2-ethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 76895259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).