4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine

C18H18N2O3 — CID 12972641

IUPAC4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine
SMILESO=[N+]([O-])/C(=C(/c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c21-20(22)18(16-9-5-2-6-10-16)17(15-7-3-1-4-8-15)19-11-13-23-14-12-19/h1-10H,11-14H2/b18-17-
InChIKeyKDVSIGSSTJQATR-ZCXUNETKSA-N
MW310.35 g/mol
LogP3.12
Rot. Bonds4

About 4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine

4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine (PubChem CID 12972641) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine.

Molecular Properties

Compound Name4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine
PubChem CID12972641
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine
SMILESO=[N+]([O-])/C(=C(/c1ccccc1)N1CCOCC1)c1ccccc1
InChIInChI=1S/C18H18N2O3/c21-20(22)18(16-9-5-2-6-10-16)17(15-7-3-1-4-8-15)19-11-13-23-14-12-19/h1-10H,11-14H2/b18-17-
InChIKeyKDVSIGSSTJQATR-ZCXUNETKSA-N
XLogP3.12
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.12
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-nitro-1,2-diphenylethenyl]morpholine
CID 14814554
4-[(Z)-2-bromo-2-nitro-1-phenylethenyl]morpholine
CID 921984
4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine
CID 3003847
4-[(E)-2-nitroso-1,2-diphenylethenyl]morpholine;hydrochloride
CID 54603340
dimethyl-[(Z)-3-morpholin-4-yl-2,3-diphenylprop-2-enylidene]azanium
CID 134877282
morpholin-4-yl-(3-nitrophenyl)methanethione
CID 619828
2-[nitro(phenyl)methylidene]propanedioic acid
CID 154443688
2,2-dibromo-1-morpholin-4-yl-3-phenylpropane-1,3-dione
CID 569666
(2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione
CID 11380289
(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

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine?
The IUPAC name of 4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine (CID 12972641) is 4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine.
What is the SMILES notation for 4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine?
The canonical SMILES for 4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine is O=[N+]([O-])/C(=C(/c1ccccc1)N1CCOCC1)c1ccccc1.
What is the InChIKey of 4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine?
The InChIKey is KDVSIGSSTJQATR-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-20(22)18(16-9-5-2-6-10-16)17(15-7-3-1-4-8-15)19-11-13-23-14-12-19/h1-10H,11-14H2/b18-17-.
What are the key properties of 4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine?
4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine has a molecular weight of 310.35 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-nitro-1,2-diphenylethenyl]morpholine is sourced from PubChem (CID 12972641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).