1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea

C10H13N3O4 — CID 11085860

IUPAC1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea
SMILESCOc1ccc(OC)c(/C=N/NC(=O)NO)c1
InChIInChI=1S/C10H13N3O4/c1-16-8-3-4-9(17-2)7(5-8)6-11-12-10(14)13-15/h3-6,15H,1-2H3,(H2,12,13,14)/b11-6+
InChIKeyDFYBYDSWAFCKJL-IZZDOVSWSA-N
MW239.23 g/mol
LogP0.73
Rot. Bonds4

About 1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea

1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea (PubChem CID 11085860) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea.

Molecular Properties

Compound Name1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea
PubChem CID11085860
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea
SMILESCOc1ccc(OC)c(/C=N/NC(=O)NO)c1
InChIInChI=1S/C10H13N3O4/c1-16-8-3-4-9(17-2)7(5-8)6-11-12-10(14)13-15/h3-6,15H,1-2H3,(H2,12,13,14)/b11-6+
InChIKeyDFYBYDSWAFCKJL-IZZDOVSWSA-N
XLogP0.73
TPSA92.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea?
The IUPAC name of 1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea (CID 11085860) is 1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea.
What is the SMILES notation for 1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea?
The canonical SMILES for 1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea is COc1ccc(OC)c(/C=N/NC(=O)NO)c1.
What is the InChIKey of 1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea?
The InChIKey is DFYBYDSWAFCKJL-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-16-8-3-4-9(17-2)7(5-8)6-11-12-10(14)13-15/h3-6,15H,1-2H3,(H2,12,13,14)/b11-6+.
What are the key properties of 1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea?
1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea has a molecular weight of 239.23 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3-hydroxyurea is sourced from PubChem (CID 11085860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).