(1R,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione

C13H12ClNO2 — CID 70409991

IUPAC(1R,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
SMILESO=C1CC[C@@H]2[C@@H](c3ccc(Cl)cc3)CC(=O)N12
InChIInChI=1S/C13H12ClNO2/c14-9-3-1-8(2-4-9)10-7-13(17)15-11(10)5-6-12(15)16/h1-4,10-11H,5-7H2/t10-,11-/m1/s1
InChIKeyHRNJZHCBBDNRMO-GHMZBOCLSA-N
MW249.70 g/mol
LogP2.34
Rot. Bonds1

About (1R,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione

(1R,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione (PubChem CID 70409991) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is (1R,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione.

Molecular Properties

Compound Name(1R,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
PubChem CID70409991
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name(1R,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione
SMILESO=C1CC[C@@H]2[C@@H](c3ccc(Cl)cc3)CC(=O)N12
InChIInChI=1S/C13H12ClNO2/c14-9-3-1-8(2-4-9)10-7-13(17)15-11(10)5-6-12(15)16/h1-4,10-11H,5-7H2/t10-,11-/m1/s1
InChIKeyHRNJZHCBBDNRMO-GHMZBOCLSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.34
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,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione?
The IUPAC name of (1R,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione (CID 70409991) is (1R,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione.
What is the SMILES notation for (1R,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione?
The canonical SMILES for (1R,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione is O=C1CC[C@@H]2[C@@H](c3ccc(Cl)cc3)CC(=O)N12.
What is the InChIKey of (1R,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione?
The InChIKey is HRNJZHCBBDNRMO-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H12ClNO2/c14-9-3-1-8(2-4-9)10-7-13(17)15-11(10)5-6-12(15)16/h1-4,10-11H,5-7H2/t10-,11-/m1/s1.
What are the key properties of (1R,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione?
(1R,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione has a molecular weight of 249.70 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8R)-1-(4-chlorophenyl)-2,6,7,8-tetrahydro-1H-pyrrolizine-3,5-dione is sourced from PubChem (CID 70409991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).