azane;3-butyl-3-chloropyrrolidine-2,5-dione

C8H15ClN2O2 — CID 18612356

IUPACazane;3-butyl-3-chloropyrrolidine-2,5-dione
SMILESCCCCC1(Cl)CC(=O)NC1=O.N
InChIInChI=1S/C8H12ClNO2.H3N/c1-2-3-4-8(9)5-6(11)10-7(8)12;/h2-5H2,1H3,(H,10,11,12);1H3
InChIKeyAFRHBPXCRDQYPM-UHFFFAOYSA-N
MW206.67 g/mol
LogP1.36
Rot. Bonds3

About azane;3-butyl-3-chloropyrrolidine-2,5-dione

azane;3-butyl-3-chloropyrrolidine-2,5-dione (PubChem CID 18612356) has the molecular formula C8H15ClN2O2 and a molecular weight of 206.67 g/mol. Its IUPAC name is azane;3-butyl-3-chloropyrrolidine-2,5-dione.

Molecular Properties

Compound Nameazane;3-butyl-3-chloropyrrolidine-2,5-dione
PubChem CID18612356
Molecular FormulaC8H15ClN2O2
Molecular Weight206.67 g/mol
Exact Mass206.08
IUPAC Nameazane;3-butyl-3-chloropyrrolidine-2,5-dione
SMILESCCCCC1(Cl)CC(=O)NC1=O.N
InChIInChI=1S/C8H12ClNO2.H3N/c1-2-3-4-8(9)5-6(11)10-7(8)12;/h2-5H2,1H3,(H,10,11,12);1H3
InChIKeyAFRHBPXCRDQYPM-UHFFFAOYSA-N
XLogP1.36
TPSA81.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.67
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 azane;3-butyl-3-chloropyrrolidine-2,5-dione?
The IUPAC name of azane;3-butyl-3-chloropyrrolidine-2,5-dione (CID 18612356) is azane;3-butyl-3-chloropyrrolidine-2,5-dione.
What is the SMILES notation for azane;3-butyl-3-chloropyrrolidine-2,5-dione?
The canonical SMILES for azane;3-butyl-3-chloropyrrolidine-2,5-dione is CCCCC1(Cl)CC(=O)NC1=O.N.
What is the InChIKey of azane;3-butyl-3-chloropyrrolidine-2,5-dione?
The InChIKey is AFRHBPXCRDQYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO2.H3N/c1-2-3-4-8(9)5-6(11)10-7(8)12;/h2-5H2,1H3,(H,10,11,12);1H3.
What are the key properties of azane;3-butyl-3-chloropyrrolidine-2,5-dione?
azane;3-butyl-3-chloropyrrolidine-2,5-dione has a molecular weight of 206.67 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-butyl-3-chloropyrrolidine-2,5-dione is sourced from PubChem (CID 18612356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).