methyl N-[(E)-prop-1-enyl]carbamate

C5H9NO2 — CID 18533378

IUPACmethyl N-[(E)-prop-1-enyl]carbamate
SMILESC/C=C/NC(=O)OC
InChIInChI=1S/C5H9NO2/c1-3-4-6-5(7)8-2/h3-4H,1-2H3,(H,6,7)/b4-3+
InChIKeyKJSPEIRZAQGWOZ-ONEGZZNKSA-N
MW115.13 g/mol
LogP0.88
Rot. Bonds1

About methyl N-[(E)-prop-1-enyl]carbamate

methyl N-[(E)-prop-1-enyl]carbamate (PubChem CID 18533378) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is methyl N-[(E)-prop-1-enyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(E)-prop-1-enyl]carbamate
PubChem CID18533378
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Namemethyl N-[(E)-prop-1-enyl]carbamate
SMILESC/C=C/NC(=O)OC
InChIInChI=1S/C5H9NO2/c1-3-4-6-5(7)8-2/h3-4H,1-2H3,(H,6,7)/b4-3+
InChIKeyKJSPEIRZAQGWOZ-ONEGZZNKSA-N
XLogP0.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(E)-prop-1-enyl]carbamate?
The IUPAC name of methyl N-[(E)-prop-1-enyl]carbamate (CID 18533378) is methyl N-[(E)-prop-1-enyl]carbamate.
What is the SMILES notation for methyl N-[(E)-prop-1-enyl]carbamate?
The canonical SMILES for methyl N-[(E)-prop-1-enyl]carbamate is C/C=C/NC(=O)OC.
What is the InChIKey of methyl N-[(E)-prop-1-enyl]carbamate?
The InChIKey is KJSPEIRZAQGWOZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H9NO2/c1-3-4-6-5(7)8-2/h3-4H,1-2H3,(H,6,7)/b4-3+.
What are the key properties of methyl N-[(E)-prop-1-enyl]carbamate?
methyl N-[(E)-prop-1-enyl]carbamate has a molecular weight of 115.13 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E)-prop-1-enyl]carbamate is sourced from PubChem (CID 18533378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).