methyl N-propylcarbamate

C5H11NO2 — CID 4293071

IUPACmethyl N-propylcarbamate
SMILESCCCNC(=O)OC
InChIInChI=1S/C5H11NO2/c1-3-4-6-5(7)8-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyBTNRKODCNRYNNJ-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.75
Rot. Bonds2

About methyl N-propylcarbamate

methyl N-propylcarbamate (PubChem CID 4293071) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is methyl N-propylcarbamate.

Molecular Properties

Compound Namemethyl N-propylcarbamate
PubChem CID4293071
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Namemethyl N-propylcarbamate
SMILESCCCNC(=O)OC
InChIInChI=1S/C5H11NO2/c1-3-4-6-5(7)8-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyBTNRKODCNRYNNJ-UHFFFAOYSA-N
XLogP0.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-propylcarbamate?
The IUPAC name of methyl N-propylcarbamate (CID 4293071) is methyl N-propylcarbamate.
What is the SMILES notation for methyl N-propylcarbamate?
The canonical SMILES for methyl N-propylcarbamate is CCCNC(=O)OC.
What is the InChIKey of methyl N-propylcarbamate?
The InChIKey is BTNRKODCNRYNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-4-6-5(7)8-2/h3-4H2,1-2H3,(H,6,7).
What are the key properties of methyl N-propylcarbamate?
methyl N-propylcarbamate has a molecular weight of 117.15 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-propylcarbamate is sourced from PubChem (CID 4293071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).