methyl N-cyclopropylcarbamate

C5H9NO2 — CID 3526102

IUPACmethyl N-cyclopropylcarbamate
SMILESCOC(=O)NC1CC1
InChIInChI=1S/C5H9NO2/c1-8-5(7)6-4-2-3-4/h4H,2-3H2,1H3,(H,6,7)
InChIKeyWJNZDULHWTUCDB-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.50
Rot. Bonds1

About methyl N-cyclopropylcarbamate

methyl N-cyclopropylcarbamate (PubChem CID 3526102) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is methyl N-cyclopropylcarbamate.

Molecular Properties

Compound Namemethyl N-cyclopropylcarbamate
PubChem CID3526102
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Namemethyl N-cyclopropylcarbamate
SMILESCOC(=O)NC1CC1
InChIInChI=1S/C5H9NO2/c1-8-5(7)6-4-2-3-4/h4H,2-3H2,1H3,(H,6,7)
InChIKeyWJNZDULHWTUCDB-UHFFFAOYSA-N
XLogP0.50
TPSA38.33 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 ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-cyclopropylcarbamate?
The IUPAC name of methyl N-cyclopropylcarbamate (CID 3526102) is methyl N-cyclopropylcarbamate.
What is the SMILES notation for methyl N-cyclopropylcarbamate?
The canonical SMILES for methyl N-cyclopropylcarbamate is COC(=O)NC1CC1.
What is the InChIKey of methyl N-cyclopropylcarbamate?
The InChIKey is WJNZDULHWTUCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-8-5(7)6-4-2-3-4/h4H,2-3H2,1H3,(H,6,7).
What are the key properties of methyl N-cyclopropylcarbamate?
methyl N-cyclopropylcarbamate has a molecular weight of 115.13 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-cyclopropylcarbamate is sourced from PubChem (CID 3526102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).