1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane

C13H18N2O — CID 166807035

IUPAC1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESc1c(C23CCC(COC2)N3)cn2c1CCC2
InChIInChI=1S/C13H18N2O/c1-2-12-6-10(7-15(12)5-1)13-4-3-11(14-13)8-16-9-13/h6-7,11,14H,1-5,8-9H2
InChIKeyPBXJZYZCCOGKMK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.41
Rot. Bonds1

About 1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane

1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 166807035) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID166807035
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
SMILESc1c(C23CCC(COC2)N3)cn2c1CCC2
InChIInChI=1S/C13H18N2O/c1-2-12-6-10(7-15(12)5-1)13-4-3-11(14-13)8-16-9-13/h6-7,11,14H,1-5,8-9H2
InChIKeyPBXJZYZCCOGKMK-UHFFFAOYSA-N
XLogP1.41
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane (CID 166807035) is 1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane is c1c(C23CCC(COC2)N3)cn2c1CCC2.
What is the InChIKey of 1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is PBXJZYZCCOGKMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-2-12-6-10(7-15(12)5-1)13-4-3-11(14-13)8-16-9-13/h6-7,11,14H,1-5,8-9H2.
What are the key properties of 1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane?
1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 218.30 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-5H-pyrrolizin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 166807035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).