2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone

C10H16N2O2 — CID 121202014

IUPAC2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone
SMILESO=C(C1CCNC1)N1CC2CC1CO2
InChIInChI=1S/C10H16N2O2/c13-10(7-1-2-11-4-7)12-5-9-3-8(12)6-14-9/h7-9,11H,1-6H2
InChIKeyJJYZXOUXULLIQV-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.40
Rot. Bonds1

About 2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone

2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone (PubChem CID 121202014) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone
PubChem CID121202014
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone
SMILESO=C(C1CCNC1)N1CC2CC1CO2
InChIInChI=1S/C10H16N2O2/c13-10(7-1-2-11-4-7)12-5-9-3-8(12)6-14-9/h7-9,11H,1-6H2
InChIKeyJJYZXOUXULLIQV-UHFFFAOYSA-N
XLogP-0.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone?
The IUPAC name of 2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone (CID 121202014) is 2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone.
What is the SMILES notation for 2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone?
The canonical SMILES for 2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone is O=C(C1CCNC1)N1CC2CC1CO2.
What is the InChIKey of 2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone?
The InChIKey is JJYZXOUXULLIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c13-10(7-1-2-11-4-7)12-5-9-3-8(12)6-14-9/h7-9,11H,1-6H2.
What are the key properties of 2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone?
2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone has a molecular weight of 196.25 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxa-5-azabicyclo[2.2.1]heptan-5-yl(pyrrolidin-3-yl)methanone is sourced from PubChem (CID 121202014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).