4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one

C11H16N2O3 — CID 79079586

IUPAC4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CC3CCC(C2)O3)CN1
InChIInChI=1S/C11H16N2O3/c14-10-3-7(4-12-10)11(15)13-5-8-1-2-9(6-13)16-8/h7-9H,1-6H2,(H,12,14)
InChIKeyCSIZAABZZVNFQC-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.49
Rot. Bonds1

About 4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one

4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one (PubChem CID 79079586) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one
PubChem CID79079586
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CC3CCC(C2)O3)CN1
InChIInChI=1S/C11H16N2O3/c14-10-3-7(4-12-10)11(15)13-5-8-1-2-9(6-13)16-8/h7-9H,1-6H2,(H,12,14)
InChIKeyCSIZAABZZVNFQC-UHFFFAOYSA-N
XLogP-0.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one?
The IUPAC name of 4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one (CID 79079586) is 4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CC3CCC(C2)O3)CN1.
What is the InChIKey of 4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one?
The InChIKey is CSIZAABZZVNFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-10-3-7(4-12-10)11(15)13-5-8-1-2-9(6-13)16-8/h7-9H,1-6H2,(H,12,14).
What are the key properties of 4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one?
4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one has a molecular weight of 224.26 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 79079586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).