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

C14H17NO2 — CID 101388379

IUPAC(5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@H]1C[C@@H](c2ccccc2)N2C(=O)CC[C@]12O
InChIInChI=1S/C14H17NO2/c1-10-9-12(11-5-3-2-4-6-11)15-13(16)7-8-14(10,15)17/h2-6,10,12,17H,7-9H2,1H3/t10-,12-,14-/m0/s1
InChIKeyJGSXMYKSKWBNOB-JKOKRWQUSA-N
MW231.30 g/mol
LogP2.08
Rot. Bonds1

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

(5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 101388379) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
PubChem CID101388379
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
SMILESC[C@H]1C[C@@H](c2ccccc2)N2C(=O)CC[C@]12O
InChIInChI=1S/C14H17NO2/c1-10-9-12(11-5-3-2-4-6-11)15-13(16)7-8-14(10,15)17/h2-6,10,12,17H,7-9H2,1H3/t10-,12-,14-/m0/s1
InChIKeyJGSXMYKSKWBNOB-JKOKRWQUSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one with MolForge

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Related Compounds

(3R,9aS)-9a-methyl-3-phenyl-2,3,6,7,8,9-hexahydro-[1,3]oxazolo[3,2-a]azepin-5-one
CID 10729053
(4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione
CID 102505304
(2R,3S,8aS)-3-(hydroxymethyl)-8a-methyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 928750
(3S,7aR)-7a-methyl-2,2,3-triphenyl-6,7-dihydro-3H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 15362456
(3S,8aR)-3-phenyl-8a-propyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 10777688
(8S,8aS)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 101002230
(2R,3S,8aR)-8a-ethyl-3-methyl-2-phenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 10706423
1,3-dimethyl-3-phenylpiperidine-2,6-dione
CID 13260886
(3S,5R)-3-methyl-5-phenylpyrazolidin-2-id-1-amine
CID 163468254
methyl (1R,3S,5S,8S)-3-methyl-1,5-diphenyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carboxylate
CID 134962694
(3R,7aR)-7a-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 53349747
4a-hydroxy-1-methyl-2-phenyl-2,3,5,6,7,7a-hexahydrocyclopenta[b]pyridin-4-one
CID 23935811

Frequently Asked Questions

What is the IUPAC name of (5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one (CID 101388379) is (5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is C[C@H]1C[C@@H](c2ccccc2)N2C(=O)CC[C@]12O.
What is the InChIKey of (5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is JGSXMYKSKWBNOB-JKOKRWQUSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10-9-12(11-5-3-2-4-6-11)15-13(16)7-8-14(10,15)17/h2-6,10,12,17H,7-9H2,1H3/t10-,12-,14-/m0/s1.
What are the key properties of (5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one?
(5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 231.30 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 101388379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).