1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one

C16H20N2O2 — CID 46986943

IUPAC1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one
SMILESCc1cc2ccccc2n1CCC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C16H20N2O2/c1-12-10-13-4-2-3-5-15(13)18(12)9-7-16(20)17-8-6-14(19)11-17/h2-5,10,14,19H,6-9,11H2,1H3/t14-/m1/s1
InChIKeyMQINTKGFZSYOLR-CQSZACIVSA-N
MW272.35 g/mol
LogP1.93
Rot. Bonds3

About 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one

1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one (PubChem CID 46986943) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one
PubChem CID46986943
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one
SMILESCc1cc2ccccc2n1CCC(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C16H20N2O2/c1-12-10-13-4-2-3-5-15(13)18(12)9-7-16(20)17-8-6-14(19)11-17/h2-5,10,14,19H,6-9,11H2,1H3/t14-/m1/s1
InChIKeyMQINTKGFZSYOLR-CQSZACIVSA-N
XLogP1.93
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one
CID 110680227
1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 113088420
3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918787
(3R)-1-[2-(2-methylindol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 51974268
3-(2-methylindol-1-yl)-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 46996733
1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one
CID 110680239
(3S)-N-[2-(2-methylindol-1-yl)ethyl]-3-(sulfamoylmethyl)pyrrolidine-1-carboxamide
CID 126437362
1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(2-methylindol-1-yl)propan-1-one
CID 91828367
3-[4-[(3R)-3-hydroxypyrrolidin-1-yl]-4-oxobutyl]-4-methyl-1,3-thiazol-2-one
CID 66291430
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
CID 111562018
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 91947110
(3R)-1-[3-(2-phenylindol-1-yl)propanoyl]piperidine-3-carboxylic acid
CID 29133842

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one (CID 46986943) is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one is Cc1cc2ccccc2n1CCC(=O)N1CC[C@@H](O)C1.
What is the InChIKey of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one?
The InChIKey is MQINTKGFZSYOLR-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-10-13-4-2-3-5-15(13)18(12)9-7-16(20)17-8-6-14(19)11-17/h2-5,10,14,19H,6-9,11H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one?
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one has a molecular weight of 272.35 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(2-methylindol-1-yl)propan-1-one is sourced from PubChem (CID 46986943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).