2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide

C14H19N4O4+ — CID 4069374

IUPAC2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
SMILESC=C(NNC(=O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H18N4O4/c1-11(12-3-2-4-13(9-12)18(20)21)15-16-14(19)10-17-5-7-22-8-6-17/h2-4,9,15H,1,5-8,10H2,(H,16,19)/p+1
InChIKeyUIPPAVGYGHMUOD-UHFFFAOYSA-O
MW307.33 g/mol
LogP-0.90
Rot. Bonds6

About 2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide

2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide (PubChem CID 4069374) has the molecular formula C14H19N4O4+ and a molecular weight of 307.33 g/mol. Its IUPAC name is 2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide.

Molecular Properties

Compound Name2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
PubChem CID4069374
Molecular FormulaC14H19N4O4+
Molecular Weight307.33 g/mol
Exact Mass307.14
IUPAC Name2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
SMILESC=C(NNC(=O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H18N4O4/c1-11(12-3-2-4-13(9-12)18(20)21)15-16-14(19)10-17-5-7-22-8-6-17/h2-4,9,15H,1,5-8,10H2,(H,16,19)/p+1
InChIKeyUIPPAVGYGHMUOD-UHFFFAOYSA-O
XLogP-0.90
TPSA97.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

2-morpholin-4-ium-4-yl-N-(3-nitrophenyl)acetamide
CID 3575843
N-(2-chloro-5-nitrophenyl)-2-morpholin-4-ium-4-ylacetamide
CID 2082920
2-(4-chlorophenoxy)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
CID 4090907
4-fluoro-N'-[1-(3-nitrophenyl)ethenyl]benzohydrazide
CID 5087058
2-(3-methylidene-5-oxopyrazolidin-4-yl)-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide
CID 5216806
2-morpholin-4-ium-4-yl-N-[3-(4-nitroanilino)propyl]acetamide
CID 7371288
(2R)-2-(3-morpholin-4-ium-4-ylpropylazaniumyl)-4-(3-nitroanilino)-4-oxobutanoate
CID 7166217
N-morpholin-4-yl-3-nitrobenzamide
CID 871425
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-3-nitrobenzamide
CID 16611977
1-(3-nitrophenyl)-3-piperidin-1-ium-1-ylpropan-1-one chloride
CID 11109325
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl]urea
CID 18168702
N-(4-morpholin-4-ylbutyl)-3-nitrobenzamide
CID 47041854

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide?
The IUPAC name of 2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide (CID 4069374) is 2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide.
What is the SMILES notation for 2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide?
The canonical SMILES for 2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide is C=C(NNC(=O)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide?
The InChIKey is UIPPAVGYGHMUOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H18N4O4/c1-11(12-3-2-4-13(9-12)18(20)21)15-16-14(19)10-17-5-7-22-8-6-17/h2-4,9,15H,1,5-8,10H2,(H,16,19)/p+1.
What are the key properties of 2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide?
2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide has a molecular weight of 307.33 g/mol, XLogP of -0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ium-4-yl-N'-[1-(3-nitrophenyl)ethenyl]acetohydrazide is sourced from PubChem (CID 4069374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).