tert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate

C16H20N2O2 — CID 132507563

IUPACtert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate
SMILESCC(C)(C)OC(=O)N/C=C/Cn1ccc2ccccc21
InChIInChI=1S/C16H20N2O2/c1-16(2,3)20-15(19)17-10-6-11-18-12-9-13-7-4-5-8-14(13)18/h4-10,12H,11H2,1-3H3,(H,17,19)/b10-6+
InChIKeyVRLZTLITGURUPE-UXBLZVDNSA-N
MW272.35 g/mol
LogP3.68
Rot. Bonds3

About tert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate

tert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate (PubChem CID 132507563) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is tert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate
PubChem CID132507563
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Nametert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate
SMILESCC(C)(C)OC(=O)N/C=C/Cn1ccc2ccccc21
InChIInChI=1S/C16H20N2O2/c1-16(2,3)20-15(19)17-10-6-11-18-12-9-13-7-4-5-8-14(13)18/h4-10,12H,11H2,1-3H3,(H,17,19)/b10-6+
InChIKeyVRLZTLITGURUPE-UXBLZVDNSA-N
XLogP3.68
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate?
The IUPAC name of tert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate (CID 132507563) is tert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate?
The canonical SMILES for tert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate is CC(C)(C)OC(=O)N/C=C/Cn1ccc2ccccc21.
What is the InChIKey of tert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate?
The InChIKey is VRLZTLITGURUPE-UXBLZVDNSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-16(2,3)20-15(19)17-10-6-11-18-12-9-13-7-4-5-8-14(13)18/h4-10,12H,11H2,1-3H3,(H,17,19)/b10-6+.
What are the key properties of tert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate?
tert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate has a molecular weight of 272.35 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(E)-3-indol-1-ylprop-1-enyl]carbamate is sourced from PubChem (CID 132507563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).