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

C23H19N3O3 — CID 5330711

IUPAC3-[1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCO)c3ccccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C23H19N3O3/c27-11-5-10-26-13-17(15-7-2-4-9-19(15)26)21-20(22(28)25-23(21)29)16-12-24-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,24,27H,5,10-11H2,(H,25,28,29)
InChIKeyYNQONPYZDIKVFM-UHFFFAOYSA-N
MW385.42 g/mol
LogP3.07
Rot. Bonds5

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

3-[1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 5330711) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is 3-[1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID5330711
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name3-[1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCO)c3ccccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C23H19N3O3/c27-11-5-10-26-13-17(15-7-2-4-9-19(15)26)21-20(22(28)25-23(21)29)16-12-24-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,24,27H,5,10-11H2,(H,25,28,29)
InChIKeyYNQONPYZDIKVFM-UHFFFAOYSA-N
XLogP3.07
TPSA87.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 176167
CID 176167
CID 11494412
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CID 153999
CID 153999
CID 2396
CID 2396
CID 397
CID 397
CID 2403
CID 2403
CID 23063810
CID 23063810
CID 131007
CID 131007
CID 9888211
CID 9888211
CID 5327711
CID 5327711
CID 181567
CID 181567
CID 2176767
CID 2176767

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 5330711) is 3-[1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CCCO)c3ccccc23)=C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-[1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is YNQONPYZDIKVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c27-11-5-10-26-13-17(15-7-2-4-9-19(15)26)21-20(22(28)25-23(21)29)16-12-24-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,24,27H,5,10-11H2,(H,25,28,29).
What are the key properties of 3-[1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 385.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5330711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).