methyl N-propa-1,2-dienylcarbamate

C5H7NO2 — CID 15688714

IUPACmethyl N-propa-1,2-dienylcarbamate
SMILESC=C=CNC(=O)OC
InChIInChI=1S/C5H7NO2/c1-3-4-6-5(7)8-2/h4H,1H2,2H3,(H,6,7)
InChIKeyHKGLBLUTJUNFFA-UHFFFAOYSA-N
MW113.12 g/mol
LogP0.64
Rot. Bonds1

About methyl N-propa-1,2-dienylcarbamate

methyl N-propa-1,2-dienylcarbamate (PubChem CID 15688714) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is methyl N-propa-1,2-dienylcarbamate.

Molecular Properties

Compound Namemethyl N-propa-1,2-dienylcarbamate
PubChem CID15688714
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Namemethyl N-propa-1,2-dienylcarbamate
SMILESC=C=CNC(=O)OC
InChIInChI=1S/C5H7NO2/c1-3-4-6-5(7)8-2/h4H,1H2,2H3,(H,6,7)
InChIKeyHKGLBLUTJUNFFA-UHFFFAOYSA-N
XLogP0.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl N-propa-1,2-dienylcarbamate?
The IUPAC name of methyl N-propa-1,2-dienylcarbamate (CID 15688714) is methyl N-propa-1,2-dienylcarbamate.
What is the SMILES notation for methyl N-propa-1,2-dienylcarbamate?
The canonical SMILES for methyl N-propa-1,2-dienylcarbamate is C=C=CNC(=O)OC.
What is the InChIKey of methyl N-propa-1,2-dienylcarbamate?
The InChIKey is HKGLBLUTJUNFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-3-4-6-5(7)8-2/h4H,1H2,2H3,(H,6,7).
What are the key properties of methyl N-propa-1,2-dienylcarbamate?
methyl N-propa-1,2-dienylcarbamate has a molecular weight of 113.12 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-propa-1,2-dienylcarbamate is sourced from PubChem (CID 15688714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).