(1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione

C13H13NO2 — CID 54515458

IUPAC(1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
SMILESO=C1CC[C@H]2[C@@H](c3ccccc3)CC(=O)N12
InChIInChI=1S/C13H13NO2/c15-12-7-6-11-10(8-13(16)14(11)12)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m1/s1
InChIKeyYMCQKGZMDPUEBV-MNOVXSKESA-N
MW215.25 g/mol
LogP1.69
Rot. Bonds1

About (1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione

(1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione (PubChem CID 54515458) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione.

Molecular Properties

Compound Name(1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
PubChem CID54515458
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
SMILESO=C1CC[C@H]2[C@@H](c3ccccc3)CC(=O)N12
InChIInChI=1S/C13H13NO2/c15-12-7-6-11-10(8-13(16)14(11)12)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m1/s1
InChIKeyYMCQKGZMDPUEBV-MNOVXSKESA-N
XLogP1.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione?
The IUPAC name of (1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione (CID 54515458) is (1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione.
What is the SMILES notation for (1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione?
The canonical SMILES for (1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione is O=C1CC[C@H]2[C@@H](c3ccccc3)CC(=O)N12.
What is the InChIKey of (1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione?
The InChIKey is YMCQKGZMDPUEBV-MNOVXSKESA-N. The full InChI is InChI=1S/C13H13NO2/c15-12-7-6-11-10(8-13(16)14(11)12)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2/t10-,11+/m1/s1.
What are the key properties of (1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione?
(1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione has a molecular weight of 215.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-1-phenyl-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione is sourced from PubChem (CID 54515458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).