benzyl N-aminocarbamate;hydrochloride

C8H11ClN2O2 — CID 21476110

IUPACbenzyl N-aminocarbamate;hydrochloride
SMILESCl.NNC(=O)OCc1ccccc1
InChIInChI=1S/C8H10N2O2.ClH/c9-10-8(11)12-6-7-4-2-1-3-5-7;/h1-5H,6,9H2,(H,10,11);1H
InChIKeyVAVRLZSOYQZLMB-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.21
Rot. Bonds2

About benzyl N-aminocarbamate;hydrochloride

benzyl N-aminocarbamate;hydrochloride (PubChem CID 21476110) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is benzyl N-aminocarbamate;hydrochloride.

Molecular Properties

Compound Namebenzyl N-aminocarbamate;hydrochloride
PubChem CID21476110
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Namebenzyl N-aminocarbamate;hydrochloride
SMILESCl.NNC(=O)OCc1ccccc1
InChIInChI=1S/C8H10N2O2.ClH/c9-10-8(11)12-6-7-4-2-1-3-5-7;/h1-5H,6,9H2,(H,10,11);1H
InChIKeyVAVRLZSOYQZLMB-UHFFFAOYSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-aminocarbamate;hydrochloride?
The IUPAC name of benzyl N-aminocarbamate;hydrochloride (CID 21476110) is benzyl N-aminocarbamate;hydrochloride.
What is the SMILES notation for benzyl N-aminocarbamate;hydrochloride?
The canonical SMILES for benzyl N-aminocarbamate;hydrochloride is Cl.NNC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-aminocarbamate;hydrochloride?
The InChIKey is VAVRLZSOYQZLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c9-10-8(11)12-6-7-4-2-1-3-5-7;/h1-5H,6,9H2,(H,10,11);1H.
What are the key properties of benzyl N-aminocarbamate;hydrochloride?
benzyl N-aminocarbamate;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-aminocarbamate;hydrochloride is sourced from PubChem (CID 21476110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).