3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol

C13H17NO — CID 59036221

IUPAC3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol
SMILESOC1(c2ccccc2)CCC2CCCN21
InChIInChI=1S/C13H17NO/c15-13(11-5-2-1-3-6-11)9-8-12-7-4-10-14(12)13/h1-3,5-6,12,15H,4,7-10H2
InChIKeyVWHMLOINWMXXAK-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.09
Rot. Bonds1

About 3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol

3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol (PubChem CID 59036221) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol.

Molecular Properties

Compound Name3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol
PubChem CID59036221
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol
SMILESOC1(c2ccccc2)CCC2CCCN21
InChIInChI=1S/C13H17NO/c15-13(11-5-2-1-3-6-11)9-8-12-7-4-10-14(12)13/h1-3,5-6,12,15H,4,7-10H2
InChIKeyVWHMLOINWMXXAK-UHFFFAOYSA-N
XLogP2.09
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol?
The IUPAC name of 3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol (CID 59036221) is 3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol.
What is the SMILES notation for 3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol?
The canonical SMILES for 3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol is OC1(c2ccccc2)CCC2CCCN21.
What is the InChIKey of 3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol?
The InChIKey is VWHMLOINWMXXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c15-13(11-5-2-1-3-6-11)9-8-12-7-4-10-14(12)13/h1-3,5-6,12,15H,4,7-10H2.
What are the key properties of 3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol?
3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol has a molecular weight of 203.29 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,2,5,6,7,8-hexahydropyrrolizin-3-ol is sourced from PubChem (CID 59036221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).