tert-butyl N-prop-2-enylcarbamate

C8H15NO2 — CID 4067274

IUPACtert-butyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO2/c1-5-6-9-7(10)11-8(2,3)4/h5H,1,6H2,2-4H3,(H,9,10)
InChIKeyAWARHXCROCWEAK-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.70
Rot. Bonds2

About tert-butyl N-prop-2-enylcarbamate

tert-butyl N-prop-2-enylcarbamate (PubChem CID 4067274) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is tert-butyl N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-prop-2-enylcarbamate
PubChem CID4067274
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nametert-butyl N-prop-2-enylcarbamate
SMILESC=CCNC(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO2/c1-5-6-9-7(10)11-8(2,3)4/h5H,1,6H2,2-4H3,(H,9,10)
InChIKeyAWARHXCROCWEAK-UHFFFAOYSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.70
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 tert-butyl N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-prop-2-enylcarbamate (CID 4067274) is tert-butyl N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-prop-2-enylcarbamate is C=CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-prop-2-enylcarbamate?
The InChIKey is AWARHXCROCWEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-5-6-9-7(10)11-8(2,3)4/h5H,1,6H2,2-4H3,(H,9,10).
What are the key properties of tert-butyl N-prop-2-enylcarbamate?
tert-butyl N-prop-2-enylcarbamate has a molecular weight of 157.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-prop-2-enylcarbamate is sourced from PubChem (CID 4067274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).