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

C15H19NO2 — CID 551066

IUPAC1-hydroxy-2,2-dimethyl-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one
SMILESCC1(C)C(=O)N2CCCC2C1(O)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-14(2)13(17)16-10-6-9-12(16)15(14,18)11-7-4-3-5-8-11/h3-5,7-8,12,18H,6,9-10H2,1-2H3
InChIKeyZUQZCYHHZFMVJE-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.90
Rot. Bonds1

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

1-hydroxy-2,2-dimethyl-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one (PubChem CID 551066) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-hydroxy-2,2-dimethyl-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one.

Molecular Properties

Compound Name1-hydroxy-2,2-dimethyl-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one
PubChem CID551066
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-hydroxy-2,2-dimethyl-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one
SMILESCC1(C)C(=O)N2CCCC2C1(O)c1ccccc1
InChIInChI=1S/C15H19NO2/c1-14(2)13(17)16-10-6-9-12(16)15(14,18)11-7-4-3-5-8-11/h3-5,7-8,12,18H,6,9-10H2,1-2H3
InChIKeyZUQZCYHHZFMVJE-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.90
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
1-(3-Cyclopentylpropanoyl)-3-(2-methylphenyl)pyrrolidin-3-ol
CID 56742110
(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
(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
(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-6,7-dimethyl-1-phenyl-hexahydro-pyrrolizin-3-on
CID 567008
1,6,7-Trihydroxy-1-phenyl-hexahydro-pyrrolizin-3-one
CID 568396
1-Hydroxy-1-phenyl-1,2,5,9b(3H)-tetrahydropyrrolo[2,1-a]isoinden-3-one
CID 576510

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2,2-dimethyl-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one?
The IUPAC name of 1-hydroxy-2,2-dimethyl-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one (CID 551066) is 1-hydroxy-2,2-dimethyl-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one.
What is the SMILES notation for 1-hydroxy-2,2-dimethyl-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one?
The canonical SMILES for 1-hydroxy-2,2-dimethyl-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one is CC1(C)C(=O)N2CCCC2C1(O)c1ccccc1.
What is the InChIKey of 1-hydroxy-2,2-dimethyl-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one?
The InChIKey is ZUQZCYHHZFMVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-14(2)13(17)16-10-6-9-12(16)15(14,18)11-7-4-3-5-8-11/h3-5,7-8,12,18H,6,9-10H2,1-2H3.
What are the key properties of 1-hydroxy-2,2-dimethyl-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one?
1-hydroxy-2,2-dimethyl-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one has a molecular weight of 245.32 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2,2-dimethyl-1-phenyl-5,6,7,8-tetrahydropyrrolizin-3-one is sourced from PubChem (CID 551066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).