benzyl N-amino-N-methylcarbamate

C9H12N2O2 — CID 11217590

IUPACbenzyl N-amino-N-methylcarbamate
SMILESCN(N)C(=O)OCc1ccccc1
InChIInChI=1S/C9H12N2O2/c1-11(10)9(12)13-7-8-5-3-2-4-6-8/h2-6H,7,10H2,1H3
InChIKeyDHBHFHDKOHJROV-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.13
Rot. Bonds2

About benzyl N-amino-N-methylcarbamate

benzyl N-amino-N-methylcarbamate (PubChem CID 11217590) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is benzyl N-amino-N-methylcarbamate.

Molecular Properties

Compound Namebenzyl N-amino-N-methylcarbamate
PubChem CID11217590
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Namebenzyl N-amino-N-methylcarbamate
SMILESCN(N)C(=O)OCc1ccccc1
InChIInChI=1S/C9H12N2O2/c1-11(10)9(12)13-7-8-5-3-2-4-6-8/h2-6H,7,10H2,1H3
InChIKeyDHBHFHDKOHJROV-UHFFFAOYSA-N
XLogP1.13
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
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-amino-N-methylcarbamate?
The IUPAC name of benzyl N-amino-N-methylcarbamate (CID 11217590) is benzyl N-amino-N-methylcarbamate.
What is the SMILES notation for benzyl N-amino-N-methylcarbamate?
The canonical SMILES for benzyl N-amino-N-methylcarbamate is CN(N)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-amino-N-methylcarbamate?
The InChIKey is DHBHFHDKOHJROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-11(10)9(12)13-7-8-5-3-2-4-6-8/h2-6H,7,10H2,1H3.
What are the key properties of benzyl N-amino-N-methylcarbamate?
benzyl N-amino-N-methylcarbamate has a molecular weight of 180.21 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-amino-N-methylcarbamate is sourced from PubChem (CID 11217590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).