N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide

C12H12N4O4 — CID 40531263

IUPACN'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O4/c1-2-6-13-11(17)12(18)15-14-8-9-4-3-5-10(7-9)16(19)20/h2-5,7-8H,1,6H2,(H,13,17)(H,15,18)/b14-8-
InChIKeyVSPJFYWELHSCRW-ZSOIEALJSA-N
MW276.25 g/mol
LogP0.35
Rot. Bonds5

About N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide

N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide (PubChem CID 40531263) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide
PubChem CID40531263
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC NameN'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)N/N=C\c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O4/c1-2-6-13-11(17)12(18)15-14-8-9-4-3-5-10(7-9)16(19)20/h2-5,7-8H,1,6H2,(H,13,17)(H,15,18)/b14-8-
InChIKeyVSPJFYWELHSCRW-ZSOIEALJSA-N
XLogP0.35
TPSA113.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

N-benzyl-N'-[(E)-(3-nitrophenyl)methylideneamino]oxamide
CID 46741725
N'-[(E)-(3-bromophenyl)methylideneamino]-N-prop-2-enyloxamide
CID 5339201
N-[(3-nitrophenyl)methylideneamino]-N'-[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
CID 5380788
N'-[(3-methoxyphenyl)methylideneamino]-N-prop-2-enyloxamide
CID 2244283
N'-[(3-nitrophenyl)methylideneamino]-N-(pyridin-3-ylmethyl)oxamide
CID 3102319
N-(2,6-dimethylphenyl)-N'-[(Z)-(3-nitrophenyl)methylideneamino]oxamide
CID 8898610
N-(4-ethoxyphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 3528185
1,3-bis[(Z)-(3-nitrophenyl)methylideneamino]thiourea
CID 6280519
N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5050166
(Z)-2-acetamido-3-(3-nitrophenyl)-N-prop-2-enylprop-2-enamide
CID 6232689
N-(3-fluorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5189069
N-(3-chlorophenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 606165

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide?
The IUPAC name of N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide (CID 40531263) is N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)N/N=C\c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide?
The InChIKey is VSPJFYWELHSCRW-ZSOIEALJSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-2-6-13-11(17)12(18)15-14-8-9-4-3-5-10(7-9)16(19)20/h2-5,7-8H,1,6H2,(H,13,17)(H,15,18)/b14-8-.
What are the key properties of N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide?
N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide has a molecular weight of 276.25 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3-nitrophenyl)methylideneamino]-N-prop-2-enyloxamide is sourced from PubChem (CID 40531263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).