1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione

C10H14ClNO2 — CID 77064669

IUPAC1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CC=CCCl)C1=O
InChIInChI=1S/C10H14ClNO2/c1-10(2)7-8(13)12(9(10)14)6-4-3-5-11/h3-4H,5-7H2,1-2H3
InChIKeyDJCBBFFYWJXLLB-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.57
Rot. Bonds3

About 1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione

1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 77064669) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID77064669
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CC=CCCl)C1=O
InChIInChI=1S/C10H14ClNO2/c1-10(2)7-8(13)12(9(10)14)6-4-3-5-11/h3-4H,5-7H2,1-2H3
InChIKeyDJCBBFFYWJXLLB-UHFFFAOYSA-N
XLogP1.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione (CID 77064669) is 1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(CC=CCCl)C1=O.
What is the InChIKey of 1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is DJCBBFFYWJXLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-10(2)7-8(13)12(9(10)14)6-4-3-5-11/h3-4H,5-7H2,1-2H3.
What are the key properties of 1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione?
1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 215.68 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobut-2-enyl)-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 77064669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).