tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate

C19H19NO3 — CID 141389257

IUPACtert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2C(=O)C1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-19(2,3)23-18(22)20-15-12-8-7-11-14(15)17(21)16(20)13-9-5-4-6-10-13/h4-12,16H,1-3H3
InChIKeySTEAUEVUEOMXBI-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.37
Rot. Bonds1

About tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate

tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate (PubChem CID 141389257) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate
PubChem CID141389257
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Nametert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1c2ccccc2C(=O)C1c1ccccc1
InChIInChI=1S/C19H19NO3/c1-19(2,3)23-18(22)20-15-12-8-7-11-14(15)17(21)16(20)13-9-5-4-6-10-13/h4-12,16H,1-3H3
InChIKeySTEAUEVUEOMXBI-UHFFFAOYSA-N
XLogP4.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate?
The IUPAC name of tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate (CID 141389257) is tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate is CC(C)(C)OC(=O)N1c2ccccc2C(=O)C1c1ccccc1.
What is the InChIKey of tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate?
The InChIKey is STEAUEVUEOMXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-19(2,3)23-18(22)20-15-12-8-7-11-14(15)17(21)16(20)13-9-5-4-6-10-13/h4-12,16H,1-3H3.
What are the key properties of tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate?
tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-oxo-2-phenyl-2H-indole-1-carboxylate is sourced from PubChem (CID 141389257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).