(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone

C14H16N2O3 — CID 106671237

IUPAC(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CC(O)C(O)C2)c2ccccc21
InChIInChI=1S/C14H16N2O3/c1-15-6-10(9-4-2-3-5-11(9)15)14(19)16-7-12(17)13(18)8-16/h2-6,12-13,17-18H,7-8H2,1H3
InChIKeyFATQYFALTWDWES-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.36
Rot. Bonds1

About (3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone

(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone (PubChem CID 106671237) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is (3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
PubChem CID106671237
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone
SMILESCn1cc(C(=O)N2CC(O)C(O)C2)c2ccccc21
InChIInChI=1S/C14H16N2O3/c1-15-6-10(9-4-2-3-5-11(9)15)14(19)16-7-12(17)13(18)8-16/h2-6,12-13,17-18H,7-8H2,1H3
InChIKeyFATQYFALTWDWES-UHFFFAOYSA-N
XLogP0.36
TPSA65.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-(1-methylindol-3-yl)methanone
CID 17458441
(1-methylindol-3-yl)-pyrrolidin-1-ylmethanone
CID 4207786
(1-methylindol-3-yl)-[(3S,4S)-3-methyl-4-(methylamino)pyrrolidin-1-yl]methanone
CID 67619877
[(3R,4R)-3-hydroxy-4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 29088018
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(1-methylindol-3-yl)methanone
CID 9225632
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 166081487
4-(1-methylindole-3-carbonyl)piperazine-1-carbaldehyde
CID 110762463
1-[4-(1-methylindole-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805536
[3-hydroxy-3-(trifluoromethyl)azetidin-1-yl]-(1-methylindol-3-yl)methanone
CID 171512086
3-[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidine-1-carbonyl]-1-methylquinolin-4-one
CID 91840033
[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(1-methylindol-3-yl)methanone
CID 164696777
1-methylindole-3-carbothioic S-acid
CID 116918837

Frequently Asked Questions

What is the IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone?
The IUPAC name of (3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone (CID 106671237) is (3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone.
What is the SMILES notation for (3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone?
The canonical SMILES for (3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone is Cn1cc(C(=O)N2CC(O)C(O)C2)c2ccccc21.
What is the InChIKey of (3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone?
The InChIKey is FATQYFALTWDWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-15-6-10(9-4-2-3-5-11(9)15)14(19)16-7-12(17)13(18)8-16/h2-6,12-13,17-18H,7-8H2,1H3.
What are the key properties of (3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone?
(3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone has a molecular weight of 260.29 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dihydroxypyrrolidin-1-yl)-(1-methylindol-3-yl)methanone is sourced from PubChem (CID 106671237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).