methyl N-propan-2-ylcarbamate

C5H11NO2 — CID 568334

IUPACmethyl N-propan-2-ylcarbamate
SMILESCOC(=O)NC(C)C
InChIInChI=1S/C5H11NO2/c1-4(2)6-5(7)8-3/h4H,1-3H3,(H,6,7)
InChIKeyPWFYXEJZPCACLT-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.75
Rot. Bonds1

About methyl N-propan-2-ylcarbamate

methyl N-propan-2-ylcarbamate (PubChem CID 568334) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is methyl N-propan-2-ylcarbamate.

Molecular Properties

Compound Namemethyl N-propan-2-ylcarbamate
PubChem CID568334
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Namemethyl N-propan-2-ylcarbamate
SMILESCOC(=O)NC(C)C
InChIInChI=1S/C5H11NO2/c1-4(2)6-5(7)8-3/h4H,1-3H3,(H,6,7)
InChIKeyPWFYXEJZPCACLT-UHFFFAOYSA-N
XLogP0.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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-propan-2-ylcarbamate?
The IUPAC name of methyl N-propan-2-ylcarbamate (CID 568334) is methyl N-propan-2-ylcarbamate.
What is the SMILES notation for methyl N-propan-2-ylcarbamate?
The canonical SMILES for methyl N-propan-2-ylcarbamate is COC(=O)NC(C)C.
What is the InChIKey of methyl N-propan-2-ylcarbamate?
The InChIKey is PWFYXEJZPCACLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(2)6-5(7)8-3/h4H,1-3H3,(H,6,7).
What are the key properties of methyl N-propan-2-ylcarbamate?
methyl N-propan-2-ylcarbamate has a molecular weight of 117.15 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-propan-2-ylcarbamate is sourced from PubChem (CID 568334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).