4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine

C19H19N3O3 — CID 899992

IUPAC4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine
SMILESO=[N+]([O-])c1ccc2[nH]c(CN3CCOCC3)c(-c3ccccc3)c2c1
InChIInChI=1S/C19H19N3O3/c23-22(24)15-6-7-17-16(12-15)19(14-4-2-1-3-5-14)18(20-17)13-21-8-10-25-11-9-21/h1-7,12,20H,8-11,13H2
InChIKeyASZPMZXHOOPUJD-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.58
Rot. Bonds4

About 4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine

4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine (PubChem CID 899992) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine
PubChem CID899992
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine
SMILESO=[N+]([O-])c1ccc2[nH]c(CN3CCOCC3)c(-c3ccccc3)c2c1
InChIInChI=1S/C19H19N3O3/c23-22(24)15-6-7-17-16(12-15)19(14-4-2-1-3-5-14)18(20-17)13-21-8-10-25-11-9-21/h1-7,12,20H,8-11,13H2
InChIKeyASZPMZXHOOPUJD-UHFFFAOYSA-N
XLogP3.58
TPSA71.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine?
The IUPAC name of 4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine (CID 899992) is 4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine is O=[N+]([O-])c1ccc2[nH]c(CN3CCOCC3)c(-c3ccccc3)c2c1.
What is the InChIKey of 4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine?
The InChIKey is ASZPMZXHOOPUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-22(24)15-6-7-17-16(12-15)19(14-4-2-1-3-5-14)18(20-17)13-21-8-10-25-11-9-21/h1-7,12,20H,8-11,13H2.
What are the key properties of 4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine?
4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine has a molecular weight of 337.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-nitro-3-phenyl-1H-indol-2-yl)methyl]morpholine is sourced from PubChem (CID 899992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).