5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione

C15H17BrN2O3 — CID 79175334

IUPAC5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione
SMILESCCN1CCOC(CN2C(=O)C(=O)c3cc(Br)ccc32)C1
InChIInChI=1S/C15H17BrN2O3/c1-2-17-5-6-21-11(8-17)9-18-13-4-3-10(16)7-12(13)14(19)15(18)20/h3-4,7,11H,2,5-6,8-9H2,1H3
InChIKeyCADXCVHKSUMQQU-UHFFFAOYSA-N
MW353.22 g/mol
LogP1.70
Rot. Bonds3

About 5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione

5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione (PubChem CID 79175334) has the molecular formula C15H17BrN2O3 and a molecular weight of 353.22 g/mol. Its IUPAC name is 5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione
PubChem CID79175334
Molecular FormulaC15H17BrN2O3
Molecular Weight353.22 g/mol
Exact Mass352.04
IUPAC Name5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione
SMILESCCN1CCOC(CN2C(=O)C(=O)c3cc(Br)ccc32)C1
InChIInChI=1S/C15H17BrN2O3/c1-2-17-5-6-21-11(8-17)9-18-13-4-3-10(16)7-12(13)14(19)15(18)20/h3-4,7,11H,2,5-6,8-9H2,1H3
InChIKeyCADXCVHKSUMQQU-UHFFFAOYSA-N
XLogP1.70
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione (CID 79175334) is 5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione is CCN1CCOC(CN2C(=O)C(=O)c3cc(Br)ccc32)C1.
What is the InChIKey of 5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione?
The InChIKey is CADXCVHKSUMQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O3/c1-2-17-5-6-21-11(8-17)9-18-13-4-3-10(16)7-12(13)14(19)15(18)20/h3-4,7,11H,2,5-6,8-9H2,1H3.
What are the key properties of 5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione?
5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione has a molecular weight of 353.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-[(4-ethylmorpholin-2-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 79175334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).