1-(4-chlorobutyl)-3,3-dimethylpyrrolidine-2,5-dione

C10H16ClNO2 — CID 65301464

IUPAC1-(4-chlorobutyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CCCCCl)C1=O
InChIInChI=1S/C10H16ClNO2/c1-10(2)7-8(13)12(9(10)14)6-4-3-5-11/h3-7H2,1-2H3
InChIKeySSPAQHIIFSIZRJ-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.79
Rot. Bonds4

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

1-(4-chlorobutyl)-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 65301464) has the molecular formula C10H16ClNO2 and a molecular weight of 217.70 g/mol. Its IUPAC name is 1-(4-chlorobutyl)-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorobutyl)-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID65301464
Molecular FormulaC10H16ClNO2
Molecular Weight217.70 g/mol
Exact Mass217.09
IUPAC Name1-(4-chlorobutyl)-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CCCCCl)C1=O
InChIInChI=1S/C10H16ClNO2/c1-10(2)7-8(13)12(9(10)14)6-4-3-5-11/h3-7H2,1-2H3
InChIKeySSPAQHIIFSIZRJ-UHFFFAOYSA-N
XLogP1.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobutyl)-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chlorobutyl)-3,3-dimethylpyrrolidine-2,5-dione (CID 65301464) is 1-(4-chlorobutyl)-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chlorobutyl)-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chlorobutyl)-3,3-dimethylpyrrolidine-2,5-dione is CC1(C)CC(=O)N(CCCCCl)C1=O.
What is the InChIKey of 1-(4-chlorobutyl)-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is SSPAQHIIFSIZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNO2/c1-10(2)7-8(13)12(9(10)14)6-4-3-5-11/h3-7H2,1-2H3.
What are the key properties of 1-(4-chlorobutyl)-3,3-dimethylpyrrolidine-2,5-dione?
1-(4-chlorobutyl)-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 217.70 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobutyl)-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 65301464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).