cyclobutyl carbamate

C5H9NO2 — CID 22061628

IUPACcyclobutyl carbamate
SMILESNC(=O)OC1CCC1
InChIInChI=1S/C5H9NO2/c6-5(7)8-4-2-1-3-4/h4H,1-3H2,(H2,6,7)
InChIKeyLWABFMLTBBNLTA-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.63
Rot. Bonds1

About cyclobutyl carbamate

cyclobutyl carbamate (PubChem CID 22061628) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is cyclobutyl carbamate.

Molecular Properties

Compound Namecyclobutyl carbamate
PubChem CID22061628
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Namecyclobutyl carbamate
SMILESNC(=O)OC1CCC1
InChIInChI=1S/C5H9NO2/c6-5(7)8-4-2-1-3-4/h4H,1-3H2,(H2,6,7)
InChIKeyLWABFMLTBBNLTA-UHFFFAOYSA-N
XLogP0.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl carbamate?
The IUPAC name of cyclobutyl carbamate (CID 22061628) is cyclobutyl carbamate.
What is the SMILES notation for cyclobutyl carbamate?
The canonical SMILES for cyclobutyl carbamate is NC(=O)OC1CCC1.
What is the InChIKey of cyclobutyl carbamate?
The InChIKey is LWABFMLTBBNLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c6-5(7)8-4-2-1-3-4/h4H,1-3H2,(H2,6,7).
What are the key properties of cyclobutyl carbamate?
cyclobutyl carbamate has a molecular weight of 115.13 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl carbamate is sourced from PubChem (CID 22061628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).