(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione

C13H14ClNO3 — CID 98280034

IUPAC(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1CC(=O)N(CCOc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C13H14ClNO3/c1-9-8-12(16)15(13(9)17)6-7-18-11-4-2-10(14)3-5-11/h2-5,9H,6-8H2,1H3/t9-/m1/s1
InChIKeyYYTZOICJPVTUDA-SECBINFHSA-N
MW267.71 g/mol
LogP2.11
Rot. Bonds4

About (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione

(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 98280034) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione
PubChem CID98280034
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione
SMILESC[C@@H]1CC(=O)N(CCOc2ccc(Cl)cc2)C1=O
InChIInChI=1S/C13H14ClNO3/c1-9-8-12(16)15(13(9)17)6-7-18-11-4-2-10(14)3-5-11/h2-5,9H,6-8H2,1H3/t9-/m1/s1
InChIKeyYYTZOICJPVTUDA-SECBINFHSA-N
XLogP2.11
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-aminophenoxy)propyl]-3-methylpyrrolidine-2,5-dione
CID 61238081
2-[4-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]phenyl]ethanethioamide
CID 61238288
(3aR,7aR)-2-[2-(4-chlorophenoxy)ethyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 126383749
4-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propoxy]benzonitrile
CID 61238279
(2S)-5-[2-(4-chlorophenoxy)ethyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 92736534
5-[2-(4-chlorophenoxy)ethyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 71671010
1-[2-(2-aminoethoxy)ethyl]-3-methylpyrrolidine-2,5-dione
CID 103482320
1-[2-[2-(aminomethyl)phenoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 61237359
2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]benzonitrile
CID 61238278
3-methyl-1-[2-[2-[2-(3-methyl-2,5-dioxopyrrolidin-1-yl)ethoxy]propan-2-yloxy]ethyl]pyrrolidine-2,5-dione
CID 163797402
3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2,5-dione
CID 167490860
1-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethyl]-3-methylpyrrolidine-2,5-dione
CID 164585890

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione (CID 98280034) is (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione is C[C@@H]1CC(=O)N(CCOc2ccc(Cl)cc2)C1=O.
What is the InChIKey of (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is YYTZOICJPVTUDA-SECBINFHSA-N. The full InChI is InChI=1S/C13H14ClNO3/c1-9-8-12(16)15(13(9)17)6-7-18-11-4-2-10(14)3-5-11/h2-5,9H,6-8H2,1H3/t9-/m1/s1.
What are the key properties of (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione?
(3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 267.71 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-chlorophenoxy)ethyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 98280034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).