(3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione

C17H18Cl2N2O4 — CID 29101420

IUPAC(3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O4/c18-11-1-2-13(12(19)9-11)21-15(22)10-14(16(21)23)20-5-3-17(4-6-20)24-7-8-25-17/h1-2,9,14H,3-8,10H2/t14-/m1/s1
InChIKeyOZEBSXJEUFKKOB-CQSZACIVSA-N
MW385.25 g/mol
LogP2.46
Rot. Bonds2

About (3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione

(3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione (PubChem CID 29101420) has the molecular formula C17H18Cl2N2O4 and a molecular weight of 385.25 g/mol. Its IUPAC name is (3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione
PubChem CID29101420
Molecular FormulaC17H18Cl2N2O4
Molecular Weight385.25 g/mol
Exact Mass384.06
IUPAC Name(3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione
SMILESO=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H18Cl2N2O4/c18-11-1-2-13(12(19)9-11)21-15(22)10-14(16(21)23)20-5-3-17(4-6-20)24-7-8-25-17/h1-2,9,14H,3-8,10H2/t14-/m1/s1
InChIKeyOZEBSXJEUFKKOB-CQSZACIVSA-N
XLogP2.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione (CID 29101420) is (3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione is O=C1C[C@@H](N2CCC3(CC2)OCCO3)C(=O)N1c1ccc(Cl)cc1Cl.
What is the InChIKey of (3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione?
The InChIKey is OZEBSXJEUFKKOB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18Cl2N2O4/c18-11-1-2-13(12(19)9-11)21-15(22)10-14(16(21)23)20-5-3-17(4-6-20)24-7-8-25-17/h1-2,9,14H,3-8,10H2/t14-/m1/s1.
What are the key properties of (3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione?
(3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione has a molecular weight of 385.25 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,4-dichlorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 29101420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).