ethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate

C14H18N4O5 — CID 11141807

IUPACethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C14H18N4O5/c1-2-23-14(19)13(17-7-9-22-10-8-17)16-15-11-3-5-12(6-4-11)18(20)21/h3-6,15H,2,7-10H2,1H3/b16-13+
InChIKeyOQFOOOZNCXRBFH-DTQAZKPQSA-N
MW322.32 g/mol
LogP1.22
Rot. Bonds4

About ethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate

ethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate (PubChem CID 11141807) has the molecular formula C14H18N4O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is ethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate
PubChem CID11141807
Molecular FormulaC14H18N4O5
Molecular Weight322.32 g/mol
Exact Mass322.13
IUPAC Nameethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate
SMILESCCOC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C14H18N4O5/c1-2-23-14(19)13(17-7-9-22-10-8-17)16-15-11-3-5-12(6-4-11)18(20)21/h3-6,15H,2,7-10H2,1H3/b16-13+
InChIKeyOQFOOOZNCXRBFH-DTQAZKPQSA-N
XLogP1.22
TPSA106.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

ethyl (2E)-2-[(4-nitrophenyl)hydrazinylidene]pentanoate
CID 18653713
ethyl 2-morpholin-4-yl-2-[[3-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 2308619
ethyl (2Z)-2-(2-methylbenzimidazol-1-yl)-2-[(4-nitrophenyl)hydrazinylidene]acetate
CID 139081448
ethyl (2Z)-2-[(4-nitrophenyl)hydrazinylidene]-2-phenylacetate
CID 139126030
ethyl (2Z)-2-morpholin-4-yl-2-[[2-(trifluoromethyl)phenyl]hydrazinylidene]acetate
CID 6517601
diethyl 2-[(4-morpholin-4-ylsulfonylphenyl)hydrazinylidene]propanedioate
CID 21236964
ethyl 2-diphenylphosphoryl-2-[(4-nitrophenyl)hydrazinylidene]acetate
CID 3325891
ethyl (2Z)-2-[(4-bromophenyl)hydrazinylidene]-2-(2,6-dimethylmorpholin-4-yl)acetate
CID 6024677
ethyl (3S)-3-(4-nitroanilino)pyrrolidine-1-carboxylate
CID 66738744
N-[(E)-(2-morpholin-4-ium-4-yl-1-nitroethylidene)amino]-4-nitroaniline
CID 7451862
2-morpholin-4-ylethyl N-(4-nitrophenyl)carbamate
CID 177431935
ethyl 1-[(4-nitrophenyl)carbamoyl]piperidine-4-carboxylate
CID 2943790

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate?
The IUPAC name of ethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate (CID 11141807) is ethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate?
The canonical SMILES for ethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate is CCOC(=O)/C(=N\Nc1ccc([N+](=O)[O-])cc1)N1CCOCC1.
What is the InChIKey of ethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate?
The InChIKey is OQFOOOZNCXRBFH-DTQAZKPQSA-N. The full InChI is InChI=1S/C14H18N4O5/c1-2-23-14(19)13(17-7-9-22-10-8-17)16-15-11-3-5-12(6-4-11)18(20)21/h3-6,15H,2,7-10H2,1H3/b16-13+.
What are the key properties of ethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate?
ethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate has a molecular weight of 322.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-morpholin-4-yl-2-[(4-nitrophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 11141807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).