tert-butyl 5-prop-1-enylindole-1-carboxylate

C16H19NO2 — CID 139578351

IUPACtert-butyl 5-prop-1-enylindole-1-carboxylate
SMILESCC=Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H19NO2/c1-5-6-12-7-8-14-13(11-12)9-10-17(14)15(18)19-16(2,3)4/h5-11H,1-4H3
InChIKeyFBXQUCBLNJEXKA-UHFFFAOYSA-N
MW257.33 g/mol
LogP4.46
Rot. Bonds1

About tert-butyl 5-prop-1-enylindole-1-carboxylate

tert-butyl 5-prop-1-enylindole-1-carboxylate (PubChem CID 139578351) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl 5-prop-1-enylindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-prop-1-enylindole-1-carboxylate
PubChem CID139578351
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Nametert-butyl 5-prop-1-enylindole-1-carboxylate
SMILESCC=Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1
InChIInChI=1S/C16H19NO2/c1-5-6-12-7-8-14-13(11-12)9-10-17(14)15(18)19-16(2,3)4/h5-11H,1-4H3
InChIKeyFBXQUCBLNJEXKA-UHFFFAOYSA-N
XLogP4.46
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 5-formylindole-1-carboxylate
CID 11172622
tert-butyl 5-(3-acetylsulfanylprop-1-enyl)indole-1-carboxylate
CID 169458224
tert-butyl 5-hydroxyindole-1-carboxylate
CID 22596220
tert-butyl 5-bromoindole-1-carboxylate
CID 76974567
tert-butyl 5-sulfanylindole-1-carboxylate
CID 67040248
tert-butyl 5-carbamothioylindole-1-carboxylate
CID 76846579
tert-butyl 5-(difluoromethyl)indole-1-carboxylate
CID 112757173
tert-butyl 6-(3-hydroxyprop-1-enyl)indole-1-carboxylate
CID 66891568
tert-butyl 5-(sulfanylcarbamoyl)indole-1-carboxylate
CID 91479013
tert-butyl 5-anilinoindole-1-carboxylate
CID 121362687
tert-butyl 5-(4-methylanilino)indole-1-carboxylate
CID 131747950
(4-methoxyphenyl)-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-5-yl]iodanium
CID 132555591

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-prop-1-enylindole-1-carboxylate?
The IUPAC name of tert-butyl 5-prop-1-enylindole-1-carboxylate (CID 139578351) is tert-butyl 5-prop-1-enylindole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-prop-1-enylindole-1-carboxylate?
The canonical SMILES for tert-butyl 5-prop-1-enylindole-1-carboxylate is CC=Cc1ccc2c(ccn2C(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl 5-prop-1-enylindole-1-carboxylate?
The InChIKey is FBXQUCBLNJEXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-5-6-12-7-8-14-13(11-12)9-10-17(14)15(18)19-16(2,3)4/h5-11H,1-4H3.
What are the key properties of tert-butyl 5-prop-1-enylindole-1-carboxylate?
tert-butyl 5-prop-1-enylindole-1-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 4.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-prop-1-enylindole-1-carboxylate is sourced from PubChem (CID 139578351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).