propyl N-ethylcarbamate

C6H13NO2 — CID 12728793

IUPACpropyl N-ethylcarbamate
SMILESCCCOC(=O)NCC
InChIInChI=1S/C6H13NO2/c1-3-5-9-6(8)7-4-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyIGEOIVMJQKXKJZ-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.14
Rot. Bonds3

About propyl N-ethylcarbamate

propyl N-ethylcarbamate (PubChem CID 12728793) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is propyl N-ethylcarbamate.

Molecular Properties

Compound Namepropyl N-ethylcarbamate
PubChem CID12728793
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Namepropyl N-ethylcarbamate
SMILESCCCOC(=O)NCC
InChIInChI=1S/C6H13NO2/c1-3-5-9-6(8)7-4-2/h3-5H2,1-2H3,(H,7,8)
InChIKeyIGEOIVMJQKXKJZ-UHFFFAOYSA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propyl N-ethylcarbamate?
The IUPAC name of propyl N-ethylcarbamate (CID 12728793) is propyl N-ethylcarbamate.
What is the SMILES notation for propyl N-ethylcarbamate?
The canonical SMILES for propyl N-ethylcarbamate is CCCOC(=O)NCC.
What is the InChIKey of propyl N-ethylcarbamate?
The InChIKey is IGEOIVMJQKXKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-3-5-9-6(8)7-4-2/h3-5H2,1-2H3,(H,7,8).
What are the key properties of propyl N-ethylcarbamate?
propyl N-ethylcarbamate has a molecular weight of 131.18 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-ethylcarbamate is sourced from PubChem (CID 12728793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).