tert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate

C14H18N2O3 — CID 168654459

IUPACtert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cccc(NC=O)c21
InChIInChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-8-7-10-5-4-6-11(12(10)16)15-9-17/h4-6,9H,7-8H2,1-3H3,(H,15,17)
InChIKeyWWIVHZVIMPCUOA-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.55
Rot. Bonds2

About tert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate

tert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate (PubChem CID 168654459) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is tert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate
PubChem CID168654459
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nametert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cccc(NC=O)c21
InChIInChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-8-7-10-5-4-6-11(12(10)16)15-9-17/h4-6,9H,7-8H2,1-3H3,(H,15,17)
InChIKeyWWIVHZVIMPCUOA-UHFFFAOYSA-N
XLogP2.55
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate?
The IUPAC name of tert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate (CID 168654459) is tert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate?
The canonical SMILES for tert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate is CC(C)(C)OC(=O)N1CCc2cccc(NC=O)c21.
What is the InChIKey of tert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate?
The InChIKey is WWIVHZVIMPCUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,3)19-13(18)16-8-7-10-5-4-6-11(12(10)16)15-9-17/h4-6,9H,7-8H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate?
tert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-formamido-2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 168654459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).