8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one

C14H22N2O2 — CID 113408769

IUPAC8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCC(C(=O)N1CCCC1)N1C2CCC1CC(=O)C2
InChIInChI=1S/C14H22N2O2/c1-10(14(18)15-6-2-3-7-15)16-11-4-5-12(16)9-13(17)8-11/h10-12H,2-9H2,1H3
InChIKeyCLUVPMWESLNIJO-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.19
Rot. Bonds2

About 8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one

8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 113408769) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one
PubChem CID113408769
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one
SMILESCC(C(=O)N1CCCC1)N1C2CCC1CC(=O)C2
InChIInChI=1S/C14H22N2O2/c1-10(14(18)15-6-2-3-7-15)16-11-4-5-12(16)9-13(17)8-11/h10-12H,2-9H2,1H3
InChIKeyCLUVPMWESLNIJO-UHFFFAOYSA-N
XLogP1.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of 8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one (CID 113408769) is 8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for 8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for 8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one is CC(C(=O)N1CCCC1)N1C2CCC1CC(=O)C2.
What is the InChIKey of 8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is CLUVPMWESLNIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(14(18)15-6-2-3-7-15)16-11-4-5-12(16)9-13(17)8-11/h10-12H,2-9H2,1H3.
What are the key properties of 8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one?
8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 250.34 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 113408769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).