1-hydroxy-1-methyl-3-(4-nitrophenyl)urea

C8H9N3O4 — CID 3747034

IUPAC1-hydroxy-1-methyl-3-(4-nitrophenyl)urea
SMILESCN(O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H9N3O4/c1-10(13)8(12)9-6-2-4-7(5-3-6)11(14)15/h2-5,13H,1H3,(H,9,12)
InChIKeyQDWDPUOZHMWVAO-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.45
Rot. Bonds2

About 1-hydroxy-1-methyl-3-(4-nitrophenyl)urea

1-hydroxy-1-methyl-3-(4-nitrophenyl)urea (PubChem CID 3747034) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-hydroxy-1-methyl-3-(4-nitrophenyl)urea.

Molecular Properties

Compound Name1-hydroxy-1-methyl-3-(4-nitrophenyl)urea
PubChem CID3747034
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name1-hydroxy-1-methyl-3-(4-nitrophenyl)urea
SMILESCN(O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C8H9N3O4/c1-10(13)8(12)9-6-2-4-7(5-3-6)11(14)15/h2-5,13H,1H3,(H,9,12)
InChIKeyQDWDPUOZHMWVAO-UHFFFAOYSA-N
XLogP1.45
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-hydroxy-1-methyl-3-(4-nitrophenyl)urea?
The IUPAC name of 1-hydroxy-1-methyl-3-(4-nitrophenyl)urea (CID 3747034) is 1-hydroxy-1-methyl-3-(4-nitrophenyl)urea.
What is the SMILES notation for 1-hydroxy-1-methyl-3-(4-nitrophenyl)urea?
The canonical SMILES for 1-hydroxy-1-methyl-3-(4-nitrophenyl)urea is CN(O)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-hydroxy-1-methyl-3-(4-nitrophenyl)urea?
The InChIKey is QDWDPUOZHMWVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c1-10(13)8(12)9-6-2-4-7(5-3-6)11(14)15/h2-5,13H,1H3,(H,9,12).
What are the key properties of 1-hydroxy-1-methyl-3-(4-nitrophenyl)urea?
1-hydroxy-1-methyl-3-(4-nitrophenyl)urea has a molecular weight of 211.18 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-methyl-3-(4-nitrophenyl)urea is sourced from PubChem (CID 3747034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).