tert-butyl N-(4-ethenylphenyl)carbamate

C13H17NO2 — CID 11736129

IUPACtert-butyl N-(4-ethenylphenyl)carbamate
SMILESC=Cc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H17NO2/c1-5-10-6-8-11(9-7-10)14-12(15)16-13(2,3)4/h5-9H,1H2,2-4H3,(H,14,15)
InChIKeyTTYAAYBJWCDCLU-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.68
Rot. Bonds2

About tert-butyl N-(4-ethenylphenyl)carbamate

tert-butyl N-(4-ethenylphenyl)carbamate (PubChem CID 11736129) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl N-(4-ethenylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-ethenylphenyl)carbamate
PubChem CID11736129
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nametert-butyl N-(4-ethenylphenyl)carbamate
SMILESC=Cc1ccc(NC(=O)OC(C)(C)C)cc1
InChIInChI=1S/C13H17NO2/c1-5-10-6-8-11(9-7-10)14-12(15)16-13(2,3)4/h5-9H,1H2,2-4H3,(H,14,15)
InChIKeyTTYAAYBJWCDCLU-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-ethenylphenyl)carbamate?
The IUPAC name of tert-butyl N-(4-ethenylphenyl)carbamate (CID 11736129) is tert-butyl N-(4-ethenylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-ethenylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(4-ethenylphenyl)carbamate is C=Cc1ccc(NC(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl N-(4-ethenylphenyl)carbamate?
The InChIKey is TTYAAYBJWCDCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-5-10-6-8-11(9-7-10)14-12(15)16-13(2,3)4/h5-9H,1H2,2-4H3,(H,14,15).
What are the key properties of tert-butyl N-(4-ethenylphenyl)carbamate?
tert-butyl N-(4-ethenylphenyl)carbamate has a molecular weight of 219.28 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-ethenylphenyl)carbamate is sourced from PubChem (CID 11736129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).