3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine

C11H18N2 — CID 129287122

IUPAC3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)Cc1c[nH]c2c1CCCN2
InChIInChI=1S/C11H18N2/c1-8(2)6-9-7-13-11-10(9)4-3-5-12-11/h7-8,12-13H,3-6H2,1-2H3
InChIKeyPQPDTOHMGHYHGZ-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.57
Rot. Bonds2

About 3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine

3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 129287122) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID129287122
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC(C)Cc1c[nH]c2c1CCCN2
InChIInChI=1S/C11H18N2/c1-8(2)6-9-7-13-11-10(9)4-3-5-12-11/h7-8,12-13H,3-6H2,1-2H3
InChIKeyPQPDTOHMGHYHGZ-UHFFFAOYSA-N
XLogP2.57
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine (CID 129287122) is 3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine is CC(C)Cc1c[nH]c2c1CCCN2.
What is the InChIKey of 3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PQPDTOHMGHYHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)6-9-7-13-11-10(9)4-3-5-12-11/h7-8,12-13H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine?
3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 178.28 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 129287122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).