1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione

C8H12ClNO2 — CID 61238770

IUPAC1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCCCl)C1=O
InChIInChI=1S/C8H12ClNO2/c1-6-5-7(11)10(8(6)12)4-2-3-9/h6H,2-5H2,1H3
InChIKeyFZPZLRHIYVXFBW-UHFFFAOYSA-N
MW189.64 g/mol
LogP1.01
Rot. Bonds3

About 1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione

1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 61238770) has the molecular formula C8H12ClNO2 and a molecular weight of 189.64 g/mol. Its IUPAC name is 1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione
PubChem CID61238770
Molecular FormulaC8H12ClNO2
Molecular Weight189.64 g/mol
Exact Mass189.06
IUPAC Name1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CCCCl)C1=O
InChIInChI=1S/C8H12ClNO2/c1-6-5-7(11)10(8(6)12)4-2-3-9/h6H,2-5H2,1H3
InChIKeyFZPZLRHIYVXFBW-UHFFFAOYSA-N
XLogP1.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.64
LogP ≤ 51.01
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione (CID 61238770) is 1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CCCCl)C1=O.
What is the InChIKey of 1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is FZPZLRHIYVXFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2/c1-6-5-7(11)10(8(6)12)4-2-3-9/h6H,2-5H2,1H3.
What are the key properties of 1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione?
1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 189.64 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropropyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 61238770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).