3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione

C13H14ClNO2 — CID 106694989

IUPAC3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione
SMILESCC(C)c1cccc(C2C(=O)NC(=O)C2Cl)c1
InChIInChI=1S/C13H14ClNO2/c1-7(2)8-4-3-5-9(6-8)10-11(14)13(17)15-12(10)16/h3-7,10-11H,1-2H3,(H,15,16,17)
InChIKeyPZZSOBWRLBXSQA-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.16
Rot. Bonds2

About 3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione

3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione (PubChem CID 106694989) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione
PubChem CID106694989
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione
SMILESCC(C)c1cccc(C2C(=O)NC(=O)C2Cl)c1
InChIInChI=1S/C13H14ClNO2/c1-7(2)8-4-3-5-9(6-8)10-11(14)13(17)15-12(10)16/h3-7,10-11H,1-2H3,(H,15,16,17)
InChIKeyPZZSOBWRLBXSQA-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis[2,6-di(propan-2-yl)phenyl]pyrrolidine-2,5-dione
CID 175835841
(4R)-5,5-difluoro-4-(3-propan-2-ylphenyl)-1,3-oxazinan-2-one
CID 171188565
8-(3-propan-2-ylphenyl)azocan-2-one
CID 165492305
1,3-di(propan-2-yl)benzene;sulfuryl dichloride
CID 174899363
(4R)-4-(3-propan-2-ylphenyl)oxolan-3-one
CID 125425868
trans-(1S,3S)-2,2-dimethyl-3-(3-propan-2-ylphenyl)cyclopropane-1-carboxylic acid
CID 178197587
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
1-methyl-3-(3-propan-2-ylphenyl)azetidine
CID 166510487
1-(3-propan-2-ylphenyl)ethanamine
CID 63886929
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
3-chloro-4-(2-methoxy-4-nitrophenyl)pyrrolidine-2,5-dione
CID 106694928
3-(3-chlorophenyl)-4-ethyl-1-(3-propan-2-ylphenyl)pyrrolidin-2-one
CID 19097806

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione (CID 106694989) is 3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione is CC(C)c1cccc(C2C(=O)NC(=O)C2Cl)c1.
What is the InChIKey of 3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione?
The InChIKey is PZZSOBWRLBXSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-7(2)8-4-3-5-9(6-8)10-11(14)13(17)15-12(10)16/h3-7,10-11H,1-2H3,(H,15,16,17).
What are the key properties of 3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione?
3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione has a molecular weight of 251.71 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-propan-2-ylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 106694989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).