propyl N-prop-2-enylcarbamate

C7H13NO2 — CID 20670563

IUPACpropyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCCC
InChIInChI=1S/C7H13NO2/c1-3-5-8-7(9)10-6-4-2/h3H,1,4-6H2,2H3,(H,8,9)
InChIKeyJJSCHDQIZXCNIL-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.31
Rot. Bonds4

About propyl N-prop-2-enylcarbamate

propyl N-prop-2-enylcarbamate (PubChem CID 20670563) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is propyl N-prop-2-enylcarbamate.

Molecular Properties

Compound Namepropyl N-prop-2-enylcarbamate
PubChem CID20670563
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namepropyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OCCC
InChIInChI=1S/C7H13NO2/c1-3-5-8-7(9)10-6-4-2/h3H,1,4-6H2,2H3,(H,8,9)
InChIKeyJJSCHDQIZXCNIL-UHFFFAOYSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propyl N-prop-2-enylcarbamate?
The IUPAC name of propyl N-prop-2-enylcarbamate (CID 20670563) is propyl N-prop-2-enylcarbamate.
What is the SMILES notation for propyl N-prop-2-enylcarbamate?
The canonical SMILES for propyl N-prop-2-enylcarbamate is C=CCNC(=O)OCCC.
What is the InChIKey of propyl N-prop-2-enylcarbamate?
The InChIKey is JJSCHDQIZXCNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-5-8-7(9)10-6-4-2/h3H,1,4-6H2,2H3,(H,8,9).
What are the key properties of propyl N-prop-2-enylcarbamate?
propyl N-prop-2-enylcarbamate has a molecular weight of 143.19 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-prop-2-enylcarbamate is sourced from PubChem (CID 20670563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).