1-hydroxy-6,7-dimethyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one

C15H19NO2 — CID 567008

IUPAC1-hydroxy-6,7-dimethyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
SMILESCC1CN2C(=O)CC(O)(c3ccccc3)C2C1C
InChIInChI=1S/C15H19NO2/c1-10-9-16-13(17)8-15(18,14(16)11(10)2)12-6-4-3-5-7-12/h3-7,10-11,14,18H,8-9H2,1-2H3
InChIKeyKESWYUZVJAWQMD-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.76
Rot. Bonds1

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

1-hydroxy-6,7-dimethyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one (PubChem CID 567008) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-hydroxy-6,7-dimethyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one.

Molecular Properties

Compound Name1-hydroxy-6,7-dimethyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
PubChem CID567008
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-hydroxy-6,7-dimethyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one
SMILESCC1CN2C(=O)CC(O)(c3ccccc3)C2C1C
InChIInChI=1S/C15H19NO2/c1-10-9-16-13(17)8-15(18,14(16)11(10)2)12-6-4-3-5-7-12/h3-7,10-11,14,18H,8-9H2,1-2H3
InChIKeyKESWYUZVJAWQMD-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
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
(1R,6S,7S,8S)-1-hydroxy-6-(2-hydroxypropan-2-yl)-7-(phenylmethoxymethyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 134924675
cyclopentyl-[(3R,4S)-4-ethyl-3-(3-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone
CID 143833917
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
(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
(6R,6aS,10aR)-6a-hydroxy-9-methyl-6-phenyl-1,2,3,6-tetrahydropyrrolo[2,1-i]indol-5-one
CID 139125619
(3R)-N,N-diethyl-3-hydroxy-3-phenylbutanamide
CID 139262552

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6,7-dimethyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
The IUPAC name of 1-hydroxy-6,7-dimethyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one (CID 567008) is 1-hydroxy-6,7-dimethyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one.
What is the SMILES notation for 1-hydroxy-6,7-dimethyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
The canonical SMILES for 1-hydroxy-6,7-dimethyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one is CC1CN2C(=O)CC(O)(c3ccccc3)C2C1C.
What is the InChIKey of 1-hydroxy-6,7-dimethyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
The InChIKey is KESWYUZVJAWQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-9-16-13(17)8-15(18,14(16)11(10)2)12-6-4-3-5-7-12/h3-7,10-11,14,18H,8-9H2,1-2H3.
What are the key properties of 1-hydroxy-6,7-dimethyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one?
1-hydroxy-6,7-dimethyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one has a molecular weight of 245.32 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6,7-dimethyl-1-phenyl-5,6,7,8-tetrahydro-2H-pyrrolizin-3-one is sourced from PubChem (CID 567008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).