3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione

C15H14N2O3 — CID 68885958

IUPAC3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione
SMILESO=C1C=C(c2cccc3c2ccn3CCCO)C(=O)N1
InChIInChI=1S/C15H14N2O3/c18-8-2-6-17-7-5-11-10(3-1-4-13(11)17)12-9-14(19)16-15(12)20/h1,3-5,7,9,18H,2,6,8H2,(H,16,19,20)
InChIKeySWNSORNCNFKCKA-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.06
Rot. Bonds4

About 3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione

3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione (PubChem CID 68885958) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione
PubChem CID68885958
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione
SMILESO=C1C=C(c2cccc3c2ccn3CCCO)C(=O)N1
InChIInChI=1S/C15H14N2O3/c18-8-2-6-17-7-5-11-10(3-1-4-13(11)17)12-9-14(19)16-15(12)20/h1,3-5,7,9,18H,2,6,8H2,(H,16,19,20)
InChIKeySWNSORNCNFKCKA-UHFFFAOYSA-N
XLogP1.06
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione (CID 68885958) is 3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione is O=C1C=C(c2cccc3c2ccn3CCCO)C(=O)N1.
What is the InChIKey of 3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione?
The InChIKey is SWNSORNCNFKCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-8-2-6-17-7-5-11-10(3-1-4-13(11)17)12-9-14(19)16-15(12)20/h1,3-5,7,9,18H,2,6,8H2,(H,16,19,20).
What are the key properties of 3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione?
3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione has a molecular weight of 270.29 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxypropyl)indol-4-yl]pyrrole-2,5-dione is sourced from PubChem (CID 68885958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).