1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone

C14H16N2O3 — CID 106671580

IUPAC1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CC(O)C(O)C1
InChIInChI=1S/C14H16N2O3/c17-12-7-16(8-13(12)18)14(19)5-9-6-15-11-4-2-1-3-10(9)11/h1-4,6,12-13,15,17-18H,5,7-8H2
InChIKeyRMVPDFZXQBPDGB-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.27
Rot. Bonds2

About 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone

1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone (PubChem CID 106671580) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
PubChem CID106671580
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CC(O)C(O)C1
InChIInChI=1S/C14H16N2O3/c17-12-7-16(8-13(12)18)14(19)5-9-6-15-11-4-2-1-3-10(9)11/h1-4,6,12-13,15,17-18H,5,7-8H2
InChIKeyRMVPDFZXQBPDGB-UHFFFAOYSA-N
XLogP0.27
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylpyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 79036611
1-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-(1H-indol-3-yl)ethanone
CID 71099604
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 71809253
1-[2-(1H-indol-3-yl)acetyl]piperidin-4-one
CID 28753763
1-[(3S,4R)-3-hydroxy-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 134698628
1-[4-(aminomethyl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 28706781
(3R)-1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 40816462
1-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 18159897
2-(1H-indol-3-yl)-1-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]ethanone
CID 95712165
1-[2-(1H-indol-3-yl)acetyl]piperidine-3-carboxamide
CID 43397905
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
1-[(4S)-4-aminoazepan-1-yl]-2-(1H-indol-3-yl)ethanone
CID 95726890

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone (CID 106671580) is 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CC(O)C(O)C1.
What is the InChIKey of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone?
The InChIKey is RMVPDFZXQBPDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-12-7-16(8-13(12)18)14(19)5-9-6-15-11-4-2-1-3-10(9)11/h1-4,6,12-13,15,17-18H,5,7-8H2.
What are the key properties of 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone?
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone has a molecular weight of 260.29 g/mol, XLogP of 0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxypyrrolidin-1-yl)-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 106671580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).