2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one

C13H13NO2 — CID 10220018

IUPAC2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one
SMILESO=C1C(O)=C(c2ccccc2)C2CCCN12
InChIInChI=1S/C13H13NO2/c15-12-11(9-5-2-1-3-6-9)10-7-4-8-14(10)13(12)16/h1-3,5-6,10,15H,4,7-8H2
InChIKeyAPSZCQZJXWEGJS-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.96
Rot. Bonds1

About 2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one

2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one (PubChem CID 10220018) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one
PubChem CID10220018
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one
SMILESO=C1C(O)=C(c2ccccc2)C2CCCN12
InChIInChI=1S/C13H13NO2/c15-12-11(9-5-2-1-3-6-9)10-7-4-8-14(10)13(12)16/h1-3,5-6,10,15H,4,7-8H2
InChIKeyAPSZCQZJXWEGJS-UHFFFAOYSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one?
The IUPAC name of 2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one (CID 10220018) is 2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one.
What is the SMILES notation for 2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one?
The canonical SMILES for 2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one is O=C1C(O)=C(c2ccccc2)C2CCCN12.
What is the InChIKey of 2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one?
The InChIKey is APSZCQZJXWEGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-11(9-5-2-1-3-6-9)10-7-4-8-14(10)13(12)16/h1-3,5-6,10,15H,4,7-8H2.
What are the key properties of 2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one?
2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one has a molecular weight of 215.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 10220018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).