[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone

C17H23N3O — CID 124574751

IUPAC[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
SMILESO=C([C@H]1Cc2ccccc2N1)N1CC[C@@H](N2CCCC2)C1
InChIInChI=1S/C17H23N3O/c21-17(16-11-13-5-1-2-6-15(13)18-16)20-10-7-14(12-20)19-8-3-4-9-19/h1-2,5-6,14,16,18H,3-4,7-12H2/t14-,16-/m1/s1
InChIKeyPGVYXGHHRUHOTA-GDBMZVCRSA-N
MW285.39 g/mol
LogP1.72
Rot. Bonds2

About [(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone

[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (PubChem CID 124574751) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
PubChem CID124574751
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
SMILESO=C([C@H]1Cc2ccccc2N1)N1CC[C@@H](N2CCCC2)C1
InChIInChI=1S/C17H23N3O/c21-17(16-11-13-5-1-2-6-15(13)18-16)20-10-7-14(12-20)19-8-3-4-9-19/h1-2,5-6,14,16,18H,3-4,7-12H2/t14-,16-/m1/s1
InChIKeyPGVYXGHHRUHOTA-GDBMZVCRSA-N
XLogP1.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
1-(2,3-dihydro-1H-indole-2-carbonyl)piperidine-3-carboxamide
CID 76892627
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 124591728
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanone
CID 61165664
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591703
2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
CID 77002747
2,3-dihydro-1H-indol-2-yl-[3-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 120617475
[(2S)-2,3-dihydro-1H-indol-2-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64597075
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
[(2R)-2,3-dihydro-1H-indol-2-yl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 124591695

Frequently Asked Questions

What is the IUPAC name of [(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The IUPAC name of [(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone (CID 124574751) is [(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The canonical SMILES for [(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone is O=C([C@H]1Cc2ccccc2N1)N1CC[C@@H](N2CCCC2)C1.
What is the InChIKey of [(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
The InChIKey is PGVYXGHHRUHOTA-GDBMZVCRSA-N. The full InChI is InChI=1S/C17H23N3O/c21-17(16-11-13-5-1-2-6-15(13)18-16)20-10-7-14(12-20)19-8-3-4-9-19/h1-2,5-6,14,16,18H,3-4,7-12H2/t14-,16-/m1/s1.
What are the key properties of [(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone?
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone has a molecular weight of 285.39 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dihydro-1H-indol-2-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 124574751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).