(3R)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

C18H25N2O4+ — CID 6948721

IUPAC(3R)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc([C@H]2CC(=O)N(C[NH+]3CCOCC3)C2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-13(2)24-15-5-3-14(4-6-15)16-11-17(21)20(18(16)22)12-19-7-9-23-10-8-19/h3-6,13,16H,7-12H2,1-2H3/p+1/t16-/m1/s1
InChIKeyRMUPZSSPNZZGON-MRXNPFEDSA-O
MW333.41 g/mol
LogP0.19
Rot. Bonds5

About (3R)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione

(3R)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione (PubChem CID 6948721) has the molecular formula C18H25N2O4+ and a molecular weight of 333.41 g/mol. Its IUPAC name is (3R)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
PubChem CID6948721
Molecular FormulaC18H25N2O4+
Molecular Weight333.41 g/mol
Exact Mass333.18
IUPAC Name(3R)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione
SMILESCC(C)Oc1ccc([C@H]2CC(=O)N(C[NH+]3CCOCC3)C2=O)cc1
InChIInChI=1S/C18H24N2O4/c1-13(2)24-15-5-3-14(4-6-15)16-11-17(21)20(18(16)22)12-19-7-9-23-10-8-19/h3-6,13,16H,7-12H2,1-2H3/p+1/t16-/m1/s1
InChIKeyRMUPZSSPNZZGON-MRXNPFEDSA-O
XLogP0.19
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione (CID 6948721) is (3R)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione is CC(C)Oc1ccc([C@H]2CC(=O)N(C[NH+]3CCOCC3)C2=O)cc1.
What is the InChIKey of (3R)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is RMUPZSSPNZZGON-MRXNPFEDSA-O. The full InChI is InChI=1S/C18H24N2O4/c1-13(2)24-15-5-3-14(4-6-15)16-11-17(21)20(18(16)22)12-19-7-9-23-10-8-19/h3-6,13,16H,7-12H2,1-2H3/p+1/t16-/m1/s1.
What are the key properties of (3R)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione?
(3R)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 333.41 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(morpholin-4-ium-4-ylmethyl)-3-(4-propan-2-yloxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 6948721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).