1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione

C14H16ClNO3 — CID 111969239

IUPAC1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(CC(O)c2cccc(Cl)c2)C(=O)C1C
InChIInChI=1S/C14H16ClNO3/c1-8-9(2)14(19)16(13(8)18)7-12(17)10-4-3-5-11(15)6-10/h3-6,8-9,12,17H,7H2,1-2H3
InChIKeyHSKNPIGLGXFVCW-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.01
Rot. Bonds3

About 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 111969239) has the molecular formula C14H16ClNO3 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID111969239
Molecular FormulaC14H16ClNO3
Molecular Weight281.74 g/mol
Exact Mass281.08
IUPAC Name1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(CC(O)c2cccc(Cl)c2)C(=O)C1C
InChIInChI=1S/C14H16ClNO3/c1-8-9(2)14(19)16(13(8)18)7-12(17)10-4-3-5-11(15)6-10/h3-6,8-9,12,17H,7H2,1-2H3
InChIKeyHSKNPIGLGXFVCW-UHFFFAOYSA-N
XLogP2.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-bromophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 111969248
3-[2-(3-chlorophenyl)-2-hydroxyethyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 111476304
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,3-diethylpyrrolidine-2,5-dione
CID 111476517
(3S,4R)-1-[(2S)-2-(4-bromophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 99107338
1-[2-(4-ethylphenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79181723
3-(3-chlorophenyl)-3-hydroxypropanoate
CID 19770450
(1R)-2-chloro-1-(3-chlorophenyl)ethanol
CID 10375278
N-[1-[2-(3-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 71986979
3-chloro-1-(3-chlorophenyl)propan-1-ol
CID 22621587
2-amino-1-(3-chlorophenyl)ethanol;carbonic acid
CID 67865938
1-(3-chlorophenyl)-2-propan-2-ylsulfanylethanol
CID 65132101
methyl (3R)-3-(3-chlorophenyl)-3-hydroxypropanoate
CID 15081586

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 111969239) is 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(CC(O)c2cccc(Cl)c2)C(=O)C1C.
What is the InChIKey of 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is HSKNPIGLGXFVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3/c1-8-9(2)14(19)16(13(8)18)7-12(17)10-4-3-5-11(15)6-10/h3-6,8-9,12,17H,7H2,1-2H3.
What are the key properties of 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 281.74 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 111969239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).