(1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one

C13H15NO2 — CID 21155201

IUPAC(1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
SMILESO=C1C[C@@](O)(c2ccccc2)[C@H]2CCCN12
InChIInChI=1S/C13H15NO2/c15-12-9-13(16,10-5-2-1-3-6-10)11-7-4-8-14(11)12/h1-3,5-6,11,16H,4,7-9H2/t11-,13-/m1/s1
InChIKeyMBHDVQFYBHHHEQ-DGCLKSJQSA-N
MW217.27 g/mol
LogP1.27
Rot. Bonds1

About (1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one

(1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one (PubChem CID 21155201) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is (1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one.

Molecular Properties

Compound Name(1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
PubChem CID21155201
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name(1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
SMILESO=C1C[C@@](O)(c2ccccc2)[C@H]2CCCN12
InChIInChI=1S/C13H15NO2/c15-12-9-13(16,10-5-2-1-3-6-10)11-7-4-8-14(11)12/h1-3,5-6,11,16H,4,7-9H2/t11-,13-/m1/s1
InChIKeyMBHDVQFYBHHHEQ-DGCLKSJQSA-N
XLogP1.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, trans-
CID 3046225
3H-Pyrrolizin-3-one, hexahydro-1-hydroxy-1-phenyl-, cis-
CID 3077803
(2S)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 12714098
(2R)-2-hydroxy-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 12714099
(1S,2E,6R,7aR)-2-Benzylidene-1,6-dihydroxy-2,3,5,6,7,7a-hexahydro-1H-pyrrolizin-3-one
CID 54756537
(1S,2S,6R,7aR)-2-Benzyl-1,6-dihydroxyhexahydropyrrolizin-3-one
CID 54756538
(3S)-1-[(4S)-4-benzyl-2,2,5,5-tetramethyl-1,3-oxazolidin-3-yl]-3-hydroxy-3-phenylbutan-1-one
CID 102147661
3-Hydroxy-3-phenyl-1-pyrrolidin-1-ylbutan-1-one
CID 134930911
(1S,6R,8R)-2-benzylidene-1,6-dihydroxy-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 135017856
(6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one
CID 139125619
1-Hydroxy-1-phenyl-1,2,5,7a-tetrahydro-pyrrolizin-3-one
CID 549412
1-Hydroxy-2,2-dimethyl-1-phenyl-hexahydropyrrolizin-3-one
CID 551066

Frequently Asked Questions

What is the IUPAC name of (1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
The IUPAC name of (1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one (CID 21155201) is (1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one.
What is the SMILES notation for (1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
The canonical SMILES for (1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one is O=C1C[C@@](O)(c2ccccc2)[C@H]2CCCN12.
What is the InChIKey of (1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
The InChIKey is MBHDVQFYBHHHEQ-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H15NO2/c15-12-9-13(16,10-5-2-1-3-6-10)11-7-4-8-14(11)12/h1-3,5-6,11,16H,4,7-9H2/t11-,13-/m1/s1.
What are the key properties of (1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
(1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-1-hydroxy-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one is sourced from PubChem (CID 21155201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).