4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione

C14H14N2O3 — CID 2737834

IUPAC4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2O3/c17-13-8-19-9-14(18)16(13)6-5-10-7-15-12-4-2-1-3-11(10)12/h1-4,7,15H,5-6,8-9H2
InChIKeyRVPBAJRIZSDNMD-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.10
Rot. Bonds3

About 4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione

4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione (PubChem CID 2737834) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione
PubChem CID2737834
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C14H14N2O3/c17-13-8-19-9-14(18)16(13)6-5-10-7-15-12-4-2-1-3-11(10)12/h1-4,7,15H,5-6,8-9H2
InChIKeyRVPBAJRIZSDNMD-UHFFFAOYSA-N
XLogP1.10
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione?
The IUPAC name of 4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione (CID 2737834) is 4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione?
The canonical SMILES for 4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione is O=C1COCC(=O)N1CCc1c[nH]c2ccccc12.
What is the InChIKey of 4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione?
The InChIKey is RVPBAJRIZSDNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c17-13-8-19-9-14(18)16(13)6-5-10-7-15-12-4-2-1-3-11(10)12/h1-4,7,15H,5-6,8-9H2.
What are the key properties of 4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione?
4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione has a molecular weight of 258.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-indol-3-yl)ethyl]morpholine-3,5-dione is sourced from PubChem (CID 2737834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).