tert-butyl pyrido[2,3-b]indole-9-carboxylate

C16H16N2O2 — CID 141177264

IUPACtert-butyl pyrido[2,3-b]indole-9-carboxylate
SMILESCC(C)(C)OC(=O)n1c2ccccc2c2cccnc21
InChIInChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)18-13-9-5-4-7-11(13)12-8-6-10-17-14(12)18/h4-10H,1-3H3
InChIKeyXWOFEEXYCUYETH-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.97
Rot. Bonds

About tert-butyl pyrido[2,3-b]indole-9-carboxylate

tert-butyl pyrido[2,3-b]indole-9-carboxylate (PubChem CID 141177264) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is tert-butyl pyrido[2,3-b]indole-9-carboxylate.

Molecular Properties

Compound Nametert-butyl pyrido[2,3-b]indole-9-carboxylate
PubChem CID141177264
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Nametert-butyl pyrido[2,3-b]indole-9-carboxylate
SMILESCC(C)(C)OC(=O)n1c2ccccc2c2cccnc21
InChIInChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)18-13-9-5-4-7-11(13)12-8-6-10-17-14(12)18/h4-10H,1-3H3
InChIKeyXWOFEEXYCUYETH-UHFFFAOYSA-N
XLogP3.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl pyrido[2,3-b]indole-9-carboxylate?
The IUPAC name of tert-butyl pyrido[2,3-b]indole-9-carboxylate (CID 141177264) is tert-butyl pyrido[2,3-b]indole-9-carboxylate.
What is the SMILES notation for tert-butyl pyrido[2,3-b]indole-9-carboxylate?
The canonical SMILES for tert-butyl pyrido[2,3-b]indole-9-carboxylate is CC(C)(C)OC(=O)n1c2ccccc2c2cccnc21.
What is the InChIKey of tert-butyl pyrido[2,3-b]indole-9-carboxylate?
The InChIKey is XWOFEEXYCUYETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-16(2,3)20-15(19)18-13-9-5-4-7-11(13)12-8-6-10-17-14(12)18/h4-10H,1-3H3.
What are the key properties of tert-butyl pyrido[2,3-b]indole-9-carboxylate?
tert-butyl pyrido[2,3-b]indole-9-carboxylate has a molecular weight of 268.32 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl pyrido[2,3-b]indole-9-carboxylate is sourced from PubChem (CID 141177264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).