3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane

C13H20N2 — CID 162296004

IUPAC3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane
SMILESCC1C2CCC(CC2)N1c1cccn1C
InChIInChI=1S/C13H20N2/c1-10-11-5-7-12(8-6-11)15(10)13-4-3-9-14(13)2/h3-4,9-12H,5-8H2,1-2H3
InChIKeyQUYYDYSRTNXFFE-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.79
Rot. Bonds1

About 3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane

3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane (PubChem CID 162296004) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane
PubChem CID162296004
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane
SMILESCC1C2CCC(CC2)N1c1cccn1C
InChIInChI=1S/C13H20N2/c1-10-11-5-7-12(8-6-11)15(10)13-4-3-9-14(13)2/h3-4,9-12H,5-8H2,1-2H3
InChIKeyQUYYDYSRTNXFFE-UHFFFAOYSA-N
XLogP2.79
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane?
The IUPAC name of 3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane (CID 162296004) is 3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane.
What is the SMILES notation for 3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane?
The canonical SMILES for 3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane is CC1C2CCC(CC2)N1c1cccn1C.
What is the InChIKey of 3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane?
The InChIKey is QUYYDYSRTNXFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-11-5-7-12(8-6-11)15(10)13-4-3-9-14(13)2/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of 3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane?
3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane has a molecular weight of 204.32 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(1-methylpyrrol-2-yl)-2-azabicyclo[2.2.2]octane is sourced from PubChem (CID 162296004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).