1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C13H18N2O2 — CID 82856775

IUPAC1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCOc1cncc(C2(O)CCN3CCCC32)c1
InChIInChI=1S/C13H18N2O2/c1-17-11-7-10(8-14-9-11)13(16)4-6-15-5-2-3-12(13)15/h7-9,12,16H,2-6H2,1H3
InChIKeyYBVGXPDYXWFLAV-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.15
Rot. Bonds2

About 1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 82856775) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID82856775
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESCOc1cncc(C2(O)CCN3CCCC32)c1
InChIInChI=1S/C13H18N2O2/c1-17-11-7-10(8-14-9-11)13(16)4-6-15-5-2-3-12(13)15/h7-9,12,16H,2-6H2,1H3
InChIKeyYBVGXPDYXWFLAV-UHFFFAOYSA-N
XLogP1.15
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 82856775) is 1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is COc1cncc(C2(O)CCN3CCCC32)c1.
What is the InChIKey of 1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is YBVGXPDYXWFLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-11-7-10(8-14-9-11)13(16)4-6-15-5-2-3-12(13)15/h7-9,12,16H,2-6H2,1H3.
What are the key properties of 1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 234.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3-pyridinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 82856775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).