1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one

C13H13NO2 — CID 549412

IUPAC1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one
SMILESO=C1CC(O)(c2ccccc2)C2C=CCN12
InChIInChI=1S/C13H13NO2/c15-12-9-13(16,10-5-2-1-3-6-10)11-7-4-8-14(11)12/h1-7,11,16H,8-9H2
InChIKeyOHCGFHPFGYUZTK-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.04
Rot. Bonds1

About 1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one

1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one (PubChem CID 549412) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one.

Molecular Properties

Compound Name1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one
PubChem CID549412
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one
SMILESO=C1CC(O)(c2ccccc2)C2C=CCN12
InChIInChI=1S/C13H13NO2/c15-12-9-13(16,10-5-2-1-3-6-10)11-7-4-8-14(11)12/h1-7,11,16H,8-9H2
InChIKeyOHCGFHPFGYUZTK-UHFFFAOYSA-N
XLogP1.04
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 ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-allyl-N-(1-(((3S,4R)-1-(cyclopentanecarbonyl)-4-hydroxy-4-phenylpyrrolidin-3-yl)methyl)piperidin-4-yl)-2-phenylacetamide
CID 49798129
7-[(R)-2-((E)-3-Hydroxy-3-methyl-4-phenyl-but-1-enyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 10287121
3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans-
CID 3046225
3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, cis-
CID 3077803
1-Cyclopentanecarbonyl-4-phenyl-3-(pyrrolidin-1-YL)piperidin-4-OL
CID 71687067
cyclohexyl[(3R,4S)-4-hydroxy-4-phenyl-3-(1-pyrrolidinyl)tetrahydro-1(2H)-pyridinyl]methanone
CID 71687066
Cyclohexyl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 78149397
1-[(3R)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]butan-1-one
CID 87053359
2-Cyclopentyl-1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 156601703
Cyclopentyl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 78149398
1-(4-Hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)butan-1-one
CID 156601712
2-hydroxy-N,N-diisopropyl-2-phenylpropanamide
CID 24977849

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one?
The IUPAC name of 1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one (CID 549412) is 1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one.
What is the SMILES notation for 1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one?
The canonical SMILES for 1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one is O=C1CC(O)(c2ccccc2)C2C=CCN12.
What is the InChIKey of 1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one?
The InChIKey is OHCGFHPFGYUZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-9-13(16,10-5-2-1-3-6-10)11-7-4-8-14(11)12/h1-7,11,16H,8-9H2.
What are the key properties of 1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one?
1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one has a molecular weight of 215.25 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-phenyl-5,8-dihydro-2H-pyrrolizin-3-one is sourced from PubChem (CID 549412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).