(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate

C15H26N2O2 — CID 580038

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate
SMILESCN1C2CCC1CC(OC(=O)CCN1CCCC1)C2
InChIInChI=1S/C15H26N2O2/c1-16-12-4-5-13(16)11-14(10-12)19-15(18)6-9-17-7-2-3-8-17/h12-14H,2-11H2,1H3
InChIKeyBWPRWNIQEYRCRX-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.64
Rot. Bonds4

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate (PubChem CID 580038) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate
PubChem CID580038
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate
SMILESCN1C2CCC1CC(OC(=O)CCN1CCCC1)C2
InChIInChI=1S/C15H26N2O2/c1-16-12-4-5-13(16)11-14(10-12)19-15(18)6-9-17-7-2-3-8-17/h12-14H,2-11H2,1H3
InChIKeyBWPRWNIQEYRCRX-UHFFFAOYSA-N
XLogP1.64
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate (CID 580038) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate is CN1C2CCC1CC(OC(=O)CCN1CCCC1)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate?
The InChIKey is BWPRWNIQEYRCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-16-12-4-5-13(16)11-14(10-12)19-15(18)6-9-17-7-2-3-8-17/h12-14H,2-11H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate has a molecular weight of 266.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-pyrrolidin-1-ylpropanoate is sourced from PubChem (CID 580038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).