4-(2-chloro-4-nitrophenyl)morpholin-3-one

C10H9ClN2O4 — CID 69051891

IUPAC4-(2-chloro-4-nitrophenyl)morpholin-3-one
SMILESO=C1COCCN1c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H9ClN2O4/c11-8-5-7(13(15)16)1-2-9(8)12-3-4-17-6-10(12)14/h1-2,5H,3-4,6H2
InChIKeyLJDLLGJIIWZONQ-UHFFFAOYSA-N
MW256.64 g/mol
LogP1.61
Rot. Bonds2

About 4-(2-chloro-4-nitrophenyl)morpholin-3-one

4-(2-chloro-4-nitrophenyl)morpholin-3-one (PubChem CID 69051891) has the molecular formula C10H9ClN2O4 and a molecular weight of 256.64 g/mol. Its IUPAC name is 4-(2-chloro-4-nitrophenyl)morpholin-3-one.

Molecular Properties

Compound Name4-(2-chloro-4-nitrophenyl)morpholin-3-one
PubChem CID69051891
Molecular FormulaC10H9ClN2O4
Molecular Weight256.64 g/mol
Exact Mass256.03
IUPAC Name4-(2-chloro-4-nitrophenyl)morpholin-3-one
SMILESO=C1COCCN1c1ccc([N+](=O)[O-])cc1Cl
InChIInChI=1S/C10H9ClN2O4/c11-8-5-7(13(15)16)1-2-9(8)12-3-4-17-6-10(12)14/h1-2,5H,3-4,6H2
InChIKeyLJDLLGJIIWZONQ-UHFFFAOYSA-N
XLogP1.61
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.64
LogP ≤ 51.61
H-Bond Donors ≤ 50
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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Related Compounds

4-(2-bromo-4-nitrophenyl)morpholin-3-one
CID 165482133
1,4-bis(2-chloro-4-nitrophenyl)piperazine
CID 3829099
4-(2-bromo-4-chlorophenyl)morpholin-3-one
CID 130066570
1-(2-chloro-4-nitrophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671730
1-(2-chloro-4-nitrophenyl)pyrrole-2,5-dione
CID 4120945
2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde
CID 91756748
4-[3-(fluoromethyl)-5-nitrophenyl]morpholin-3-one
CID 122576873
4-(3-amino-4-nitrophenyl)morpholin-3-one
CID 66869728
4-[4-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]morpholin-3-one
CID 137092270
N-(2-chloro-4-nitrophenyl)-4-morpholin-4-yl-3-nitrobenzamide
CID 7339768
1-[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]ethanone
CID 2887588
4-(4-methyl-3-nitrophenyl)morpholin-3-one
CID 165481709

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-nitrophenyl)morpholin-3-one?
The IUPAC name of 4-(2-chloro-4-nitrophenyl)morpholin-3-one (CID 69051891) is 4-(2-chloro-4-nitrophenyl)morpholin-3-one.
What is the SMILES notation for 4-(2-chloro-4-nitrophenyl)morpholin-3-one?
The canonical SMILES for 4-(2-chloro-4-nitrophenyl)morpholin-3-one is O=C1COCCN1c1ccc([N+](=O)[O-])cc1Cl.
What is the InChIKey of 4-(2-chloro-4-nitrophenyl)morpholin-3-one?
The InChIKey is LJDLLGJIIWZONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O4/c11-8-5-7(13(15)16)1-2-9(8)12-3-4-17-6-10(12)14/h1-2,5H,3-4,6H2.
What are the key properties of 4-(2-chloro-4-nitrophenyl)morpholin-3-one?
4-(2-chloro-4-nitrophenyl)morpholin-3-one has a molecular weight of 256.64 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-nitrophenyl)morpholin-3-one is sourced from PubChem (CID 69051891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).