4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one

C17H15N3O5 — CID 137092270

IUPAC4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C17H15N3O5/c21-16-6-5-15(20(23)24)9-12(16)10-18-13-1-3-14(4-2-13)19-7-8-25-11-17(19)22/h1-6,9-10,21H,7-8,11H2/b18-10+
InChIKeyCEFKKQFGHYOLCE-VCHYOVAHSA-N
MW341.32 g/mol
LogP2.41
Rot. Bonds4

About 4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one

4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one (PubChem CID 137092270) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is 4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one
PubChem CID137092270
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one
SMILESO=C1COCCN1c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1
InChIInChI=1S/C17H15N3O5/c21-16-6-5-15(20(23)24)9-12(16)10-18-13-1-3-14(4-2-13)19-7-8-25-11-17(19)22/h1-6,9-10,21H,7-8,11H2/b18-10+
InChIKeyCEFKKQFGHYOLCE-VCHYOVAHSA-N
XLogP2.41
TPSA105.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one?
The IUPAC name of 4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one (CID 137092270) is 4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one is O=C1COCCN1c1ccc(/N=C/c2cc([N+](=O)[O-])ccc2O)cc1.
What is the InChIKey of 4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one?
The InChIKey is CEFKKQFGHYOLCE-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H15N3O5/c21-16-6-5-15(20(23)24)9-12(16)10-18-13-1-3-14(4-2-13)19-7-8-25-11-17(19)22/h1-6,9-10,21H,7-8,11H2/b18-10+.
What are the key properties of 4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one?
4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one has a molecular weight of 341.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one is sourced from PubChem (CID 137092270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).