tert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate

C14H18N2O2 — CID 102162572

IUPACtert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate
SMILESCCc1cc2cccnc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C14H18N2O2/c1-5-11-9-10-7-6-8-15-12(10)16(11)13(17)18-14(2,3)4/h6-9H,5H2,1-4H3
InChIKeyISWLAAXBWKOJDM-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.38
Rot. Bonds1

About tert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate

tert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate (PubChem CID 102162572) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is tert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate
PubChem CID102162572
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Nametert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate
SMILESCCc1cc2cccnc2n1C(=O)OC(C)(C)C
InChIInChI=1S/C14H18N2O2/c1-5-11-9-10-7-6-8-15-12(10)16(11)13(17)18-14(2,3)4/h6-9H,5H2,1-4H3
InChIKeyISWLAAXBWKOJDM-UHFFFAOYSA-N
XLogP3.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate (CID 102162572) is tert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate is CCc1cc2cccnc2n1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate?
The InChIKey is ISWLAAXBWKOJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-5-11-9-10-7-6-8-15-12(10)16(11)13(17)18-14(2,3)4/h6-9H,5H2,1-4H3.
What are the key properties of tert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate?
tert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethylpyrrolo[2,3-b]pyridine-1-carboxylate is sourced from PubChem (CID 102162572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).