[4-(hydroxyiminomethyl)phenyl]urea

C8H9N3O2 — CID 88614645

IUPAC[4-(hydroxyiminomethyl)phenyl]urea
SMILESNC(=O)Nc1ccc(C=NO)cc1
InChIInChI=1S/C8H9N3O2/c9-8(12)11-7-3-1-6(2-4-7)5-10-13/h1-5,13H,(H3,9,11,12)
InChIKeyRQXFHOPOFPMCPW-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.99
Rot. Bonds2

About [4-(hydroxyiminomethyl)phenyl]urea

[4-(hydroxyiminomethyl)phenyl]urea (PubChem CID 88614645) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is [4-(hydroxyiminomethyl)phenyl]urea.

Molecular Properties

Compound Name[4-(hydroxyiminomethyl)phenyl]urea
PubChem CID88614645
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name[4-(hydroxyiminomethyl)phenyl]urea
SMILESNC(=O)Nc1ccc(C=NO)cc1
InChIInChI=1S/C8H9N3O2/c9-8(12)11-7-3-1-6(2-4-7)5-10-13/h1-5,13H,(H3,9,11,12)
InChIKeyRQXFHOPOFPMCPW-UHFFFAOYSA-N
XLogP0.99
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(carbamoylamino)phenyl]prop-2-enoic acid
CID 54391419
methyl 4-amino-2-[[4-(hydroxyiminomethyl)phenyl]carbamoylamino]-4-oxobutanoate
CID 88642235
[4-(3-bromoprop-1-enyl)phenyl]urea
CID 169475818
N-[4-[[(Z)-[(2Z)-2-[(4-acetamidophenyl)methylidenehydrazinylidene]-1,2-diaminoethylidene]hydrazinylidene]methyl]phenyl]acetamide
CID 131882450
2-(4-ethylsulfonylphenyl)-N-[4-(hydroxyiminomethyl)phenyl]acetamide
CID 175369454
(4-bromophenyl)urea
CID 16074
2-bromo-N-[4-(carbamoylamino)phenyl]acetamide
CID 63680454
4-amino-N-[[4-(hydroxyiminomethyl)phenyl]methylideneamino]benzamide
CID 137178269
N-[4-(carbamoylamino)phenyl]but-2-enamide
CID 78997401
ethyl 2-[[4-(hydroxyiminomethyl)phenyl]carbamoyl-prop-2-enylamino]acetate
CID 88615020
1-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-methylurea
CID 89220020
1-[4-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-3-phenylurea
CID 148941526

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxyiminomethyl)phenyl]urea?
The IUPAC name of [4-(hydroxyiminomethyl)phenyl]urea (CID 88614645) is [4-(hydroxyiminomethyl)phenyl]urea.
What is the SMILES notation for [4-(hydroxyiminomethyl)phenyl]urea?
The canonical SMILES for [4-(hydroxyiminomethyl)phenyl]urea is NC(=O)Nc1ccc(C=NO)cc1.
What is the InChIKey of [4-(hydroxyiminomethyl)phenyl]urea?
The InChIKey is RQXFHOPOFPMCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-8(12)11-7-3-1-6(2-4-7)5-10-13/h1-5,13H,(H3,9,11,12).
What are the key properties of [4-(hydroxyiminomethyl)phenyl]urea?
[4-(hydroxyiminomethyl)phenyl]urea has a molecular weight of 179.18 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxyiminomethyl)phenyl]urea is sourced from PubChem (CID 88614645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).