4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine

C12H13BrN2O3 — CID 921984

IUPAC4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine
SMILESO=[N+]([O-])/C(Br)=C(\c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H13BrN2O3/c13-12(15(16)17)11(10-4-2-1-3-5-10)14-6-8-18-9-7-14/h1-5H,6-9H2/b12-11+
InChIKeyUUEOOFRAAVRURI-VAWYXSNFSA-N
MW313.15 g/mol
LogP2.32
Rot. Bonds3

About 4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine

4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine (PubChem CID 921984) has the molecular formula C12H13BrN2O3 and a molecular weight of 313.15 g/mol. Its IUPAC name is 4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine.

Molecular Properties

Compound Name4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine
PubChem CID921984
Molecular FormulaC12H13BrN2O3
Molecular Weight313.15 g/mol
Exact Mass312.01
IUPAC Name4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine
SMILESO=[N+]([O-])/C(Br)=C(\c1ccccc1)N1CCOCC1
InChIInChI=1S/C12H13BrN2O3/c13-12(15(16)17)11(10-4-2-1-3-5-10)14-6-8-18-9-7-14/h1-5H,6-9H2/b12-11+
InChIKeyUUEOOFRAAVRURI-VAWYXSNFSA-N
XLogP2.32
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.15
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', '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-[(E)-2-nitro-1,2-diphenylethenyl]morpholine
CID 14814554
4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine
CID 12972641
4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine
CID 3003847
dimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium
CID 134877282
4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride
CID 54603340
morpholin-4-yl-(3-nitrophenyl)methanethione
CID 619828
2,2-dibromo-1-morpholin-4-yl-3-phenylpropane-1,3-dione
CID 569666
(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone
CID 12845384
2-morpholin-4-yl-1-(3-nitrophenyl)-2-sulfanylideneethanone
CID 130429937
3-morpholin-4-yl-2-nitro-1-N,1-N'-diphenyl-3-phenyliminoprop-1-ene-1,1-diamine
CID 100954106
[4-(morpholine-4-carbothioyl)phenyl] benzoate
CID 780934
(2-nitrophenyl) morpholine-4-carboxylate
CID 895649

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine?
The IUPAC name of 4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine (CID 921984) is 4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine.
What is the SMILES notation for 4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine?
The canonical SMILES for 4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine is O=[N+]([O-])/C(Br)=C(\c1ccccc1)N1CCOCC1.
What is the InChIKey of 4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine?
The InChIKey is UUEOOFRAAVRURI-VAWYXSNFSA-N. The full InChI is InChI=1S/C12H13BrN2O3/c13-12(15(16)17)11(10-4-2-1-3-5-10)14-6-8-18-9-7-14/h1-5H,6-9H2/b12-11+.
What are the key properties of 4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine?
4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine has a molecular weight of 313.15 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine is sourced from PubChem (CID 921984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).