tert-butyl 2-carbamoylindole-1-carboxylate

C14H16N2O3 — CID 133057328

IUPACtert-butyl 2-carbamoylindole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(C(N)=O)cc2ccccc21
InChIInChI=1S/C14H16N2O3/c1-14(2,3)19-13(18)16-10-7-5-4-6-9(10)8-11(16)12(15)17/h4-8H,1-3H3,(H2,15,17)
InChIKeyRYMKGKOBFNNGEO-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.52
Rot. Bonds1

About tert-butyl 2-carbamoylindole-1-carboxylate

tert-butyl 2-carbamoylindole-1-carboxylate (PubChem CID 133057328) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is tert-butyl 2-carbamoylindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-carbamoylindole-1-carboxylate
PubChem CID133057328
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Nametert-butyl 2-carbamoylindole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(C(N)=O)cc2ccccc21
InChIInChI=1S/C14H16N2O3/c1-14(2,3)19-13(18)16-10-7-5-4-6-9(10)8-11(16)12(15)17/h4-8H,1-3H3,(H2,15,17)
InChIKeyRYMKGKOBFNNGEO-UHFFFAOYSA-N
XLogP2.52
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-carbamoylindole-1-carboxylate?
The IUPAC name of tert-butyl 2-carbamoylindole-1-carboxylate (CID 133057328) is tert-butyl 2-carbamoylindole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-carbamoylindole-1-carboxylate?
The canonical SMILES for tert-butyl 2-carbamoylindole-1-carboxylate is CC(C)(C)OC(=O)n1c(C(N)=O)cc2ccccc21.
What is the InChIKey of tert-butyl 2-carbamoylindole-1-carboxylate?
The InChIKey is RYMKGKOBFNNGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-14(2,3)19-13(18)16-10-7-5-4-6-9(10)8-11(16)12(15)17/h4-8H,1-3H3,(H2,15,17).
What are the key properties of tert-butyl 2-carbamoylindole-1-carboxylate?
tert-butyl 2-carbamoylindole-1-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-carbamoylindole-1-carboxylate is sourced from PubChem (CID 133057328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).