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

C17H16N2O2 — CID 101471302

IUPAC(7S,8R,9aR)-8-hydroxy-8-methyl-7-phenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one
SMILESC[C@@]1(O)C[C@@H]2c3ncccc3C(=O)N2[C@H]1c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-17(21)10-13-14-12(8-5-9-18-14)16(20)19(13)15(17)11-6-3-2-4-7-11/h2-9,13,15,21H,10H2,1H3/t13-,15+,17-/m1/s1
InChIKeyULMALYXCOASYNW-UKPHBRMFSA-N
MW280.33 g/mol
LogP2.47
Rot. Bonds1

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

(7S,8R,9aR)-8-hydroxy-8-methyl-7-phenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one (PubChem CID 101471302) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is (7S,8R,9aR)-8-hydroxy-8-methyl-7-phenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one.

Molecular Properties

Compound Name(7S,8R,9aR)-8-hydroxy-8-methyl-7-phenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one
PubChem CID101471302
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name(7S,8R,9aR)-8-hydroxy-8-methyl-7-phenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one
SMILESC[C@@]1(O)C[C@@H]2c3ncccc3C(=O)N2[C@H]1c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-17(21)10-13-14-12(8-5-9-18-14)16(20)19(13)15(17)11-6-3-2-4-7-11/h2-9,13,15,21H,10H2,1H3/t13-,15+,17-/m1/s1
InChIKeyULMALYXCOASYNW-UKPHBRMFSA-N
XLogP2.47
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (7S,8R,9aR)-8-hydroxy-8-methyl-7-phenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one?
The IUPAC name of (7S,8R,9aR)-8-hydroxy-8-methyl-7-phenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one (CID 101471302) is (7S,8R,9aR)-8-hydroxy-8-methyl-7-phenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one.
What is the SMILES notation for (7S,8R,9aR)-8-hydroxy-8-methyl-7-phenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one?
The canonical SMILES for (7S,8R,9aR)-8-hydroxy-8-methyl-7-phenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one is C[C@@]1(O)C[C@@H]2c3ncccc3C(=O)N2[C@H]1c1ccccc1.
What is the InChIKey of (7S,8R,9aR)-8-hydroxy-8-methyl-7-phenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one?
The InChIKey is ULMALYXCOASYNW-UKPHBRMFSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-17(21)10-13-14-12(8-5-9-18-14)16(20)19(13)15(17)11-6-3-2-4-7-11/h2-9,13,15,21H,10H2,1H3/t13-,15+,17-/m1/s1.
What are the key properties of (7S,8R,9aR)-8-hydroxy-8-methyl-7-phenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one?
(7S,8R,9aR)-8-hydroxy-8-methyl-7-phenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one has a molecular weight of 280.33 g/mol, XLogP of 2.47, 1 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-8-methyl-7-phenyl-9,9a-dihydro-7H-pyrido[2,3-a]pyrrolizin-5-one is sourced from PubChem (CID 101471302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).