methyl N-methyl-N-propylcarbamate

C6H13NO2 — CID 22327026

IUPACmethyl N-methyl-N-propylcarbamate
SMILESCCCN(C)C(=O)OC
InChIInChI=1S/C6H13NO2/c1-4-5-7(2)6(8)9-3/h4-5H2,1-3H3
InChIKeyXYGYXXWHQPBRSG-UHFFFAOYSA-N
MW131.18 g/mol
LogP1.09
Rot. Bonds2

About methyl N-methyl-N-propylcarbamate

methyl N-methyl-N-propylcarbamate (PubChem CID 22327026) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is methyl N-methyl-N-propylcarbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-propylcarbamate
PubChem CID22327026
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Namemethyl N-methyl-N-propylcarbamate
SMILESCCCN(C)C(=O)OC
InChIInChI=1S/C6H13NO2/c1-4-5-7(2)6(8)9-3/h4-5H2,1-3H3
InChIKeyXYGYXXWHQPBRSG-UHFFFAOYSA-N
XLogP1.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-propylcarbamate?
The IUPAC name of methyl N-methyl-N-propylcarbamate (CID 22327026) is methyl N-methyl-N-propylcarbamate.
What is the SMILES notation for methyl N-methyl-N-propylcarbamate?
The canonical SMILES for methyl N-methyl-N-propylcarbamate is CCCN(C)C(=O)OC.
What is the InChIKey of methyl N-methyl-N-propylcarbamate?
The InChIKey is XYGYXXWHQPBRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4-5-7(2)6(8)9-3/h4-5H2,1-3H3.
What are the key properties of methyl N-methyl-N-propylcarbamate?
methyl N-methyl-N-propylcarbamate has a molecular weight of 131.18 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-propylcarbamate is sourced from PubChem (CID 22327026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).