1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one

C14H17N3O4 — CID 169265741

IUPAC1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])ccc2N1CCN1CCOCC1
InChIInChI=1S/C14H17N3O4/c18-14-10-11-9-12(17(19)20)1-2-13(11)16(14)4-3-15-5-7-21-8-6-15/h1-2,9H,3-8,10H2
InChIKeySOIIQTHIRUBHQH-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.82
Rot. Bonds4

About 1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one

1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one (PubChem CID 169265741) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one
PubChem CID169265741
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one
SMILESO=C1Cc2cc([N+](=O)[O-])ccc2N1CCN1CCOCC1
InChIInChI=1S/C14H17N3O4/c18-14-10-11-9-12(17(19)20)1-2-13(11)16(14)4-3-15-5-7-21-8-6-15/h1-2,9H,3-8,10H2
InChIKeySOIIQTHIRUBHQH-UHFFFAOYSA-N
XLogP0.82
TPSA75.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-morpholin-4-ylethyl)-5-nitroindole-2,3-dione
CID 141379908
1-(3-hydroxybutyl)-5-nitro-3H-indol-2-one
CID 114983007
2-(5-nitro-2-oxo-3H-indol-1-yl)acetonitrile
CID 165104212
4-(5-nitro-2-oxo-3H-indol-1-yl)butanehydrazide
CID 63577959
3,3-dimethyl-1-(3-morpholin-4-ylpropyl)-5-nitroindol-2-one
CID 141173912
5-amino-1-ethyl-3H-indol-2-one;1-ethyl-5-nitro-3H-indol-2-one
CID 162255854
1-(4-chlorobut-2-enyl)-5-nitro-3H-indol-2-one
CID 77051367
1-(morpholin-4-ylmethyl)-5-nitroindole-2,3-dione
CID 2828271
5-nitro-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 28782766
1-(2-hydroxyethyl)-7-nitro-4,5-dihydro-3H-1-benzazepin-2-one
CID 43509796
1-cyclopropyl-5-nitro-3H-indol-2-one
CID 69317249
methyl 2-methyl-4-(5-nitro-2-oxo-3H-indol-1-yl)but-2-enoate
CID 77076506

Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one (CID 169265741) is 1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one is O=C1Cc2cc([N+](=O)[O-])ccc2N1CCN1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one?
The InChIKey is SOIIQTHIRUBHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c18-14-10-11-9-12(17(19)20)1-2-13(11)16(14)4-3-15-5-7-21-8-6-15/h1-2,9H,3-8,10H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one?
1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one has a molecular weight of 291.31 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-5-nitro-3H-indol-2-one is sourced from PubChem (CID 169265741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).