benzyl N-hydroxycarbamate

C8H9NO3 — CID 18907

IUPACbenzyl N-hydroxycarbamate
SMILESO=C(NO)OCc1ccccc1
InChIInChI=1S/C8H9NO3/c10-8(9-11)12-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
InChIKeyPQBSPTAPCMSZAA-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.30
Rot. Bonds2

About benzyl N-hydroxycarbamate

benzyl N-hydroxycarbamate (PubChem CID 18907) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is benzyl N-hydroxycarbamate.

Molecular Properties

Compound Namebenzyl N-hydroxycarbamate
PubChem CID18907
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namebenzyl N-hydroxycarbamate
SMILESO=C(NO)OCc1ccccc1
InChIInChI=1S/C8H9NO3/c10-8(9-11)12-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10)
InChIKeyPQBSPTAPCMSZAA-UHFFFAOYSA-N
XLogP1.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 benzyl N-hydroxycarbamate?
The IUPAC name of benzyl N-hydroxycarbamate (CID 18907) is benzyl N-hydroxycarbamate.
What is the SMILES notation for benzyl N-hydroxycarbamate?
The canonical SMILES for benzyl N-hydroxycarbamate is O=C(NO)OCc1ccccc1.
What is the InChIKey of benzyl N-hydroxycarbamate?
The InChIKey is PQBSPTAPCMSZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c10-8(9-11)12-6-7-4-2-1-3-5-7/h1-5,11H,6H2,(H,9,10).
What are the key properties of benzyl N-hydroxycarbamate?
benzyl N-hydroxycarbamate has a molecular weight of 167.16 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-hydroxycarbamate is sourced from PubChem (CID 18907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).