propyl N-methylcarbamate

C5H11NO2 — CID 527633

IUPACpropyl N-methylcarbamate
SMILESCCCOC(=O)NC
InChIInChI=1S/C5H11NO2/c1-3-4-8-5(7)6-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyFVDLRCDWHVEWCQ-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.75
Rot. Bonds2

About propyl N-methylcarbamate

propyl N-methylcarbamate (PubChem CID 527633) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is propyl N-methylcarbamate.

Molecular Properties

Compound Namepropyl N-methylcarbamate
PubChem CID527633
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Namepropyl N-methylcarbamate
SMILESCCCOC(=O)NC
InChIInChI=1S/C5H11NO2/c1-3-4-8-5(7)6-2/h3-4H2,1-2H3,(H,6,7)
InChIKeyFVDLRCDWHVEWCQ-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 propyl N-methylcarbamate?
The IUPAC name of propyl N-methylcarbamate (CID 527633) is propyl N-methylcarbamate.
What is the SMILES notation for propyl N-methylcarbamate?
The canonical SMILES for propyl N-methylcarbamate is CCCOC(=O)NC.
What is the InChIKey of propyl N-methylcarbamate?
The InChIKey is FVDLRCDWHVEWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3-4-8-5(7)6-2/h3-4H2,1-2H3,(H,6,7).
What are the key properties of propyl N-methylcarbamate?
propyl N-methylcarbamate 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 propyl N-methylcarbamate is sourced from PubChem (CID 527633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).