(7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one

C22H18N2O2 — CID 101471307

IUPAC(7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one
SMILESO=C1c2cccnc2[C@H]2C[C@@](O)(c3ccccc3)[C@H](c3ccccc3)N12
InChIInChI=1S/C22H18N2O2/c25-21-17-12-7-13-23-19(17)18-14-22(26,16-10-5-2-6-11-16)20(24(18)21)15-8-3-1-4-9-15/h1-13,18,20,26H,14H2/t18-,20+,22-/m1/s1
InChIKeyBOTQYHJSSCSKMB-KAGYGMCKSA-N
MW342.40 g/mol
LogP3.61
Rot. Bonds2

About (7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one

(7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one (PubChem CID 101471307) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is (7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one.

Molecular Properties

Compound Name(7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one
PubChem CID101471307
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name(7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one
SMILESO=C1c2cccnc2[C@H]2C[C@@](O)(c3ccccc3)[C@H](c3ccccc3)N12
InChIInChI=1S/C22H18N2O2/c25-21-17-12-7-13-23-19(17)18-14-22(26,16-10-5-2-6-11-16)20(24(18)21)15-8-3-1-4-9-15/h1-13,18,20,26H,14H2/t18-,20+,22-/m1/s1
InChIKeyBOTQYHJSSCSKMB-KAGYGMCKSA-N
XLogP3.61
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one with MolForge

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Related Compounds

1-benzyl-3-hydroxy-3-[2-oxo-2-(4-pyridinyl)ethyl]-1,3-dihydro-2H-indol-2-one
CID 2998832
3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-[(E)-3-phenylprop-2-enyl]indol-2-one
CID 5293403
4-(1,3-dioxo-1,3-dihydro-2H-inden-2-yliden)-2-phenyl-6-(2-pyridinyl)tetrahydropyrrolo[3,4-c]pyrrole-1,3(2H,3aH)-dione
CID 135435911
US11807646, Example 103
CID 139375783
6-benzyl-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3240034
6-cyclohexyl-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one
CID 3243857
3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 3789774
2-Dodecyl-1-hydroxy-1-phenyl-pyrrolo[3,4-c]pyridin-3-one
CID 56597352
US10239838, Example 58
CID 121413918
US10239838, Example 14
CID 121413921
US10239838, Example 51
CID 121414006
{(2S)-2-{Bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl}-1-pyrrolidinyl}[4-(1-pyrrolidinyl)-3-pyridinyl]methanone
CID 23624432

Frequently Asked Questions

What is the IUPAC name of (7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one?
The IUPAC name of (7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one (CID 101471307) is (7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one.
What is the SMILES notation for (7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one?
The canonical SMILES for (7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one is O=C1c2cccnc2[C@H]2C[C@@](O)(c3ccccc3)[C@H](c3ccccc3)N12.
What is the InChIKey of (7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one?
The InChIKey is BOTQYHJSSCSKMB-KAGYGMCKSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-21-17-12-7-13-23-19(17)18-14-22(26,16-10-5-2-6-11-16)20(24(18)21)15-8-3-1-4-9-15/h1-13,18,20,26H,14H2/t18-,20+,22-/m1/s1.
What are the key properties of (7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one?
(7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one has a molecular weight of 342.40 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8R,9aR)-8-hydroxy-7,8-diphenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one is sourced from PubChem (CID 101471307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).