1-benzyl-1-hydroxyurea

C8H10N2O2 — CID 10329656

IUPAC1-benzyl-1-hydroxyurea
SMILESNC(=O)N(O)Cc1ccccc1
InChIInChI=1S/C8H10N2O2/c9-8(11)10(12)6-7-4-2-1-3-5-7/h1-5,12H,6H2,(H2,9,11)
InChIKeyLVNMQNPBOATWFS-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.96
Rot. Bonds2

About 1-benzyl-1-hydroxyurea

1-benzyl-1-hydroxyurea (PubChem CID 10329656) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-benzyl-1-hydroxyurea.

Molecular Properties

Compound Name1-benzyl-1-hydroxyurea
PubChem CID10329656
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-benzyl-1-hydroxyurea
SMILESNC(=O)N(O)Cc1ccccc1
InChIInChI=1S/C8H10N2O2/c9-8(11)10(12)6-7-4-2-1-3-5-7/h1-5,12H,6H2,(H2,9,11)
InChIKeyLVNMQNPBOATWFS-UHFFFAOYSA-N
XLogP0.96
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-benzyl-1-hydroxyurea?
The IUPAC name of 1-benzyl-1-hydroxyurea (CID 10329656) is 1-benzyl-1-hydroxyurea.
What is the SMILES notation for 1-benzyl-1-hydroxyurea?
The canonical SMILES for 1-benzyl-1-hydroxyurea is NC(=O)N(O)Cc1ccccc1.
What is the InChIKey of 1-benzyl-1-hydroxyurea?
The InChIKey is LVNMQNPBOATWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-8(11)10(12)6-7-4-2-1-3-5-7/h1-5,12H,6H2,(H2,9,11).
What are the key properties of 1-benzyl-1-hydroxyurea?
1-benzyl-1-hydroxyurea has a molecular weight of 166.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-hydroxyurea is sourced from PubChem (CID 10329656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).