tert-butyl N-(1-phenylethenyl)carbamate

C13H17NO2 — CID 24881759

IUPACtert-butyl N-(1-phenylethenyl)carbamate
SMILESC=C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(11-8-6-5-7-9-11)14-12(15)16-13(2,3)4/h5-9H,1H2,2-4H3,(H,14,15)
InChIKeyFNECWCBXYVZUGA-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.18
Rot. Bonds2

About tert-butyl N-(1-phenylethenyl)carbamate

tert-butyl N-(1-phenylethenyl)carbamate (PubChem CID 24881759) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl N-(1-phenylethenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-phenylethenyl)carbamate
PubChem CID24881759
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Nametert-butyl N-(1-phenylethenyl)carbamate
SMILESC=C(NC(=O)OC(C)(C)C)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-10(11-8-6-5-7-9-11)14-12(15)16-13(2,3)4/h5-9H,1H2,2-4H3,(H,14,15)
InChIKeyFNECWCBXYVZUGA-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-phenylethenyl)carbamate?
The IUPAC name of tert-butyl N-(1-phenylethenyl)carbamate (CID 24881759) is tert-butyl N-(1-phenylethenyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-phenylethenyl)carbamate?
The canonical SMILES for tert-butyl N-(1-phenylethenyl)carbamate is C=C(NC(=O)OC(C)(C)C)c1ccccc1.
What is the InChIKey of tert-butyl N-(1-phenylethenyl)carbamate?
The InChIKey is FNECWCBXYVZUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10(11-8-6-5-7-9-11)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-(1-phenylethenyl)carbamate?
tert-butyl N-(1-phenylethenyl)carbamate has a molecular weight of 219.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-phenylethenyl)carbamate is sourced from PubChem (CID 24881759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).