6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine

C15H24N2 — CID 155403670

IUPAC6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine
SMILESCC(C)(C)c1ncc2c(c1C(C)(C)C)NCC2
InChIInChI=1S/C15H24N2/c1-14(2,3)11-12-10(7-8-16-12)9-17-13(11)15(4,5)6/h9,16H,7-8H2,1-6H3
InChIKeyHKDAJEAVAFBUSR-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.64
Rot. Bonds

About 6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine

6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine (PubChem CID 155403670) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine
PubChem CID155403670
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine
SMILESCC(C)(C)c1ncc2c(c1C(C)(C)C)NCC2
InChIInChI=1S/C15H24N2/c1-14(2,3)11-12-10(7-8-16-12)9-17-13(11)15(4,5)6/h9,16H,7-8H2,1-6H3
InChIKeyHKDAJEAVAFBUSR-UHFFFAOYSA-N
XLogP3.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine (CID 155403670) is 6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine is CC(C)(C)c1ncc2c(c1C(C)(C)C)NCC2.
What is the InChIKey of 6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine?
The InChIKey is HKDAJEAVAFBUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-14(2,3)11-12-10(7-8-16-12)9-17-13(11)15(4,5)6/h9,16H,7-8H2,1-6H3.
What are the key properties of 6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine?
6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 232.37 g/mol, XLogP of 3.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-ditert-butyl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 155403670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).