[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea

C9H10N4O4 — CID 71670048

IUPAC[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
SMILESCOc1ccc(/C=N\NC(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O4/c1-17-8-3-2-6(4-7(8)13(15)16)5-11-12-9(10)14/h2-5H,1H3,(H3,10,12,14)/b11-5-
InChIKeyBIJZCFVANJGHIC-WZUFQYTHSA-N
MW238.20 g/mol
LogP0.61
Rot. Bonds4

About [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea

[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea (PubChem CID 71670048) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
PubChem CID71670048
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea
SMILESCOc1ccc(/C=N\NC(N)=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N4O4/c1-17-8-3-2-6(4-7(8)13(15)16)5-11-12-9(10)14/h2-5H,1H3,(H3,10,12,14)/b11-5-
InChIKeyBIJZCFVANJGHIC-WZUFQYTHSA-N
XLogP0.61
TPSA119.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylpropanamide
CID 94833655
[(3,4-dinitrophenyl)methylideneamino]urea
CID 168533904
[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-nitrobenzamide
CID 2245175
4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 98090583
[[3-methoxy-4-[(3-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]urea
CID 168533154
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-methylbenzamide
CID 19165666
2-chloro-N-[(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 958341
N-[4-[(carbamoylhydrazinylidene)methyl]-2-nitrophenyl]acetamide
CID 168533920
N-[(4-methoxy-3-nitrophenyl)methylideneamino]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 840681
N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]-2-phenoxyacetamide
CID 19165668
3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 41290513

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea (CID 71670048) is [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea is COc1ccc(/C=N\NC(N)=O)cc1[N+](=O)[O-].
What is the InChIKey of [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea?
The InChIKey is BIJZCFVANJGHIC-WZUFQYTHSA-N. The full InChI is InChI=1S/C9H10N4O4/c1-17-8-3-2-6(4-7(8)13(15)16)5-11-12-9(10)14/h2-5H,1H3,(H3,10,12,14)/b11-5-.
What are the key properties of [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea?
[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea has a molecular weight of 238.20 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]urea is sourced from PubChem (CID 71670048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).