3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol

C13H24N2O — CID 558553

IUPAC3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCN1CC2CCC(N3CCCC3)C(C1)C2O
InChIInChI=1S/C13H24N2O/c1-14-8-10-4-5-12(11(9-14)13(10)16)15-6-2-3-7-15/h10-13,16H,2-9H2,1H3
InChIKeyPWRDVCGVJAKXMU-UHFFFAOYSA-N
MW224.35 g/mol
LogP0.78
Rot. Bonds1

About 3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol

3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol (PubChem CID 558553) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol
PubChem CID558553
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol
SMILESCN1CC2CCC(N3CCCC3)C(C1)C2O
InChIInChI=1S/C13H24N2O/c1-14-8-10-4-5-12(11(9-14)13(10)16)15-6-2-3-7-15/h10-13,16H,2-9H2,1H3
InChIKeyPWRDVCGVJAKXMU-UHFFFAOYSA-N
XLogP0.78
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol (CID 558553) is 3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol is CN1CC2CCC(N3CCCC3)C(C1)C2O.
What is the InChIKey of 3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol?
The InChIKey is PWRDVCGVJAKXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-14-8-10-4-5-12(11(9-14)13(10)16)15-6-2-3-7-15/h10-13,16H,2-9H2,1H3.
What are the key properties of 3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol?
3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol has a molecular weight of 224.35 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-pyrrolidin-1-yl-3-azabicyclo[3.3.1]nonan-9-ol is sourced from PubChem (CID 558553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).