3-morpholin-4-yl-5-nitroaniline

C10H13N3O3 — CID 80767156

IUPAC3-morpholin-4-yl-5-nitroaniline
SMILESNc1cc(N2CCOCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O3/c11-8-5-9(7-10(6-8)13(14)15)12-1-3-16-4-2-12/h5-7H,1-4,11H2
InChIKeyGAACDHAQGPPAQF-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.01
Rot. Bonds2

About 3-morpholin-4-yl-5-nitroaniline

3-morpholin-4-yl-5-nitroaniline (PubChem CID 80767156) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-morpholin-4-yl-5-nitroaniline.

Molecular Properties

Compound Name3-morpholin-4-yl-5-nitroaniline
PubChem CID80767156
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-morpholin-4-yl-5-nitroaniline
SMILESNc1cc(N2CCOCC2)cc([N+](=O)[O-])c1
InChIInChI=1S/C10H13N3O3/c11-8-5-9(7-10(6-8)13(14)15)12-1-3-16-4-2-12/h5-7H,1-4,11H2
InChIKeyGAACDHAQGPPAQF-UHFFFAOYSA-N
XLogP1.01
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 3-morpholin-4-yl-5-nitroaniline?
The IUPAC name of 3-morpholin-4-yl-5-nitroaniline (CID 80767156) is 3-morpholin-4-yl-5-nitroaniline.
What is the SMILES notation for 3-morpholin-4-yl-5-nitroaniline?
The canonical SMILES for 3-morpholin-4-yl-5-nitroaniline is Nc1cc(N2CCOCC2)cc([N+](=O)[O-])c1.
What is the InChIKey of 3-morpholin-4-yl-5-nitroaniline?
The InChIKey is GAACDHAQGPPAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-8-5-9(7-10(6-8)13(14)15)12-1-3-16-4-2-12/h5-7H,1-4,11H2.
What are the key properties of 3-morpholin-4-yl-5-nitroaniline?
3-morpholin-4-yl-5-nitroaniline has a molecular weight of 223.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-5-nitroaniline is sourced from PubChem (CID 80767156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).