1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione

C14H14N2O3 — CID 10848791

IUPAC1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C14H14N2O3/c17-10-1-2-12-11(7-10)9(8-15-12)5-6-16-13(18)3-4-14(16)19/h1-2,7-8,15,17H,3-6H2
InChIKeyHYKOVLUGOBAHPI-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.57
Rot. Bonds3

About 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione

1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 10848791) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID10848791
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1CCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C14H14N2O3/c17-10-1-2-12-11(7-10)9(8-15-12)5-6-16-13(18)3-4-14(16)19/h1-2,7-8,15,17H,3-6H2
InChIKeyHYKOVLUGOBAHPI-UHFFFAOYSA-N
XLogP1.57
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-(5-methoxy-1H-indol-3-yl)ethyl]piperidine-2,6-dione
CID 23283702
3-propyl-1H-indol-5-ol
CID 15366338
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-(5-hydroxy-1H-indol-3-yl)propanoic acid;hydrochloride
CID 142678890
2-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-6,7,8,8a-tetrahydro-5H-imidazo[1,5-a]pyridine-1,3-dione
CID 167923438
3-(2-aminoethyl)-1H-indol-5-ol;sulfamide
CID 67549652
3-(piperazin-1-ylmethyl)-1H-indol-5-ol
CID 117174988
4,5-dimethyl-1-[2-(5-methyl-1H-indol-3-yl)ethyl]-3H-pyrrol-2-one
CID 139258716
3-[2-(dimethylamino)ethyl]-1H-indol-5-ol;hydrobromide
CID 171764243
3,6-bis[(5-hydroxy-1H-indol-3-yl)methyl]piperazine-2,5-dione
CID 71317607
3-[2-(5-hydroxy-1H-indol-3-yl)ethyl]-1-methyl-2-oxopiperidine-3-carboxamide
CID 175862285
3-prop-2-enyl-1H-indol-5-ol
CID 24746176

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione (CID 10848791) is 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1CCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is HYKOVLUGOBAHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-10-1-2-12-11(7-10)9(8-15-12)5-6-16-13(18)3-4-14(16)19/h1-2,7-8,15,17H,3-6H2.
What are the key properties of 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione?
1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 258.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-hydroxy-1H-indol-3-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 10848791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).