1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione

C14H15N3O5 — CID 141379908

IUPAC1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione
SMILESO=C1C(=O)N(CCN2CCOCC2)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C14H15N3O5/c18-13-11-9-10(17(20)21)1-2-12(11)16(14(13)19)4-3-15-5-7-22-8-6-15/h1-2,9H,3-8H2
InChIKeyFIXOOGZYTVIXFQ-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.46
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione

1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione (PubChem CID 141379908) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione
PubChem CID141379908
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Name1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione
SMILESO=C1C(=O)N(CCN2CCOCC2)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C14H15N3O5/c18-13-11-9-10(17(20)21)1-2-12(11)16(14(13)19)4-3-15-5-7-22-8-6-15/h1-2,9H,3-8H2
InChIKeyFIXOOGZYTVIXFQ-UHFFFAOYSA-N
XLogP0.46
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione (CID 141379908) is 1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione is O=C1C(=O)N(CCN2CCOCC2)c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione?
The InChIKey is FIXOOGZYTVIXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c18-13-11-9-10(17(20)21)1-2-12(11)16(14(13)19)4-3-15-5-7-22-8-6-15/h1-2,9H,3-8H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione?
1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione has a molecular weight of 305.29 g/mol, XLogP of 0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione is sourced from PubChem (CID 141379908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).