4-(3-amino-4-nitrophenyl)morpholin-3-one

C10H11N3O4 — CID 66869728

IUPAC4-(3-amino-4-nitrophenyl)morpholin-3-one
SMILESNc1cc(N2CCOCC2=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O4/c11-8-5-7(1-2-9(8)13(15)16)12-3-4-17-6-10(12)14/h1-2,5H,3-4,6,11H2
InChIKeyICVVIKZMDYIYJG-UHFFFAOYSA-N
MW237.22 g/mol
LogP0.54
Rot. Bonds2

About 4-(3-amino-4-nitrophenyl)morpholin-3-one

4-(3-amino-4-nitrophenyl)morpholin-3-one (PubChem CID 66869728) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 4-(3-amino-4-nitrophenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(3-amino-4-nitrophenyl)morpholin-3-one
PubChem CID66869728
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name4-(3-amino-4-nitrophenyl)morpholin-3-one
SMILESNc1cc(N2CCOCC2=O)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H11N3O4/c11-8-5-7(1-2-9(8)13(15)16)12-3-4-17-6-10(12)14/h1-2,5H,3-4,6,11H2
InChIKeyICVVIKZMDYIYJG-UHFFFAOYSA-N
XLogP0.54
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 50.54
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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Related Compounds

4-(4-methyl-3-nitrophenyl)morpholin-3-one
CID 165481709
4-(3-amino-4-chlorophenyl)morpholin-3-one
CID 82512872
4-(4-amino-3-ethynylphenyl)morpholin-3-one
CID 53417795
4-(2,3-dimethyl-6-nitrophenyl)morpholin-3-one
CID 165482127
4-(3-acetyl-4-aminophenyl)morpholin-3-one
CID 53417687
2-nitro-5-piperazin-4-ium-1-ylaniline
CID 7059955
2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde
CID 91756748
4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one
CID 122576873
1-(3-amino-4-nitrophenyl)azetidin-3-amine
CID 106749879
4-(2-bromo-4-nitrophenyl)morpholin-3-one
CID 165482133
4-(2-chloro-4-nitrophenyl)morpholin-3-one
CID 69051891
3-(3-amino-4-nitroanilino)-1-morpholin-4-ylpropan-1-one
CID 106749558

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-nitrophenyl)morpholin-3-one?
The IUPAC name of 4-(3-amino-4-nitrophenyl)morpholin-3-one (CID 66869728) is 4-(3-amino-4-nitrophenyl)morpholin-3-one.
What is the SMILES notation for 4-(3-amino-4-nitrophenyl)morpholin-3-one?
The canonical SMILES for 4-(3-amino-4-nitrophenyl)morpholin-3-one is Nc1cc(N2CCOCC2=O)ccc1[N+](=O)[O-].
What is the InChIKey of 4-(3-amino-4-nitrophenyl)morpholin-3-one?
The InChIKey is ICVVIKZMDYIYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c11-8-5-7(1-2-9(8)13(15)16)12-3-4-17-6-10(12)14/h1-2,5H,3-4,6,11H2.
What are the key properties of 4-(3-amino-4-nitrophenyl)morpholin-3-one?
4-(3-amino-4-nitrophenyl)morpholin-3-one has a molecular weight of 237.22 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-nitrophenyl)morpholin-3-one is sourced from PubChem (CID 66869728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).