1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile

C11H14N2O2 — CID 80592362

IUPAC1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CC3CCC(C2)O3)CC1
InChIInChI=1S/C11H14N2O2/c12-7-11(3-4-11)10(14)13-5-8-1-2-9(6-13)15-8/h8-9H,1-6H2
InChIKeyBZIJGACWXRBAJR-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.68
Rot. Bonds1

About 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile

1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 80592362) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile
PubChem CID80592362
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CC3CCC(C2)O3)CC1
InChIInChI=1S/C11H14N2O2/c12-7-11(3-4-11)10(14)13-5-8-1-2-9(6-13)15-8/h8-9H,1-6H2
InChIKeyBZIJGACWXRBAJR-UHFFFAOYSA-N
XLogP0.68
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile (CID 80592362) is 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile is N#CC1(C(=O)N2CC3CCC(C2)O3)CC1.
What is the InChIKey of 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is BZIJGACWXRBAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-7-11(3-4-11)10(14)13-5-8-1-2-9(6-13)15-8/h8-9H,1-6H2.
What are the key properties of 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile?
1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 206.24 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-oxa-3-azabicyclo[3.2.1]octane-3-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 80592362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).