methyl N-cyclobutylcarbamate

C6H11NO2 — CID 20500800

IUPACmethyl N-cyclobutylcarbamate
SMILESCOC(=O)NC1CCC1
InChIInChI=1S/C6H11NO2/c1-9-6(8)7-5-3-2-4-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyZNNMCHFBYPSIFG-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.89
Rot. Bonds1

About methyl N-cyclobutylcarbamate

methyl N-cyclobutylcarbamate (PubChem CID 20500800) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is methyl N-cyclobutylcarbamate.

Molecular Properties

Compound Namemethyl N-cyclobutylcarbamate
PubChem CID20500800
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namemethyl N-cyclobutylcarbamate
SMILESCOC(=O)NC1CCC1
InChIInChI=1S/C6H11NO2/c1-9-6(8)7-5-3-2-4-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyZNNMCHFBYPSIFG-UHFFFAOYSA-N
XLogP0.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methyl N-cyclobutylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-cyclobutylcarbamate?
The IUPAC name of methyl N-cyclobutylcarbamate (CID 20500800) is methyl N-cyclobutylcarbamate.
What is the SMILES notation for methyl N-cyclobutylcarbamate?
The canonical SMILES for methyl N-cyclobutylcarbamate is COC(=O)NC1CCC1.
What is the InChIKey of methyl N-cyclobutylcarbamate?
The InChIKey is ZNNMCHFBYPSIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-9-6(8)7-5-3-2-4-5/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of methyl N-cyclobutylcarbamate?
methyl N-cyclobutylcarbamate has a molecular weight of 129.16 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyclobutylcarbamate is sourced from PubChem (CID 20500800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).