4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid

C10H18ClNO3 — CID 175180139

IUPAC4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid
SMILESCCC(=O)O.O=C1CNCC1CCCCl
InChIInChI=1S/C7H12ClNO.C3H6O2/c8-3-1-2-6-4-9-5-7(6)10;1-2-3(4)5/h6,9H,1-5H2;2H2,1H3,(H,4,5)
InChIKeyLKZXWGZFEOOUEF-UHFFFAOYSA-N
MW235.71 g/mol
LogP1.27
Rot. Bonds4

About 4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid

4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid (PubChem CID 175180139) has the molecular formula C10H18ClNO3 and a molecular weight of 235.71 g/mol. Its IUPAC name is 4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid.

Molecular Properties

Compound Name4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid
PubChem CID175180139
Molecular FormulaC10H18ClNO3
Molecular Weight235.71 g/mol
Exact Mass235.10
IUPAC Name4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid
SMILESCCC(=O)O.O=C1CNCC1CCCCl
InChIInChI=1S/C7H12ClNO.C3H6O2/c8-3-1-2-6-4-9-5-7(6)10;1-2-3(4)5/h6,9H,1-5H2;2H2,1H3,(H,4,5)
InChIKeyLKZXWGZFEOOUEF-UHFFFAOYSA-N
XLogP1.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 175195273
CID 175195273
CID 175490758
CID 175490758

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid?
The IUPAC name of 4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid (CID 175180139) is 4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid.
What is the SMILES notation for 4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid?
The canonical SMILES for 4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid is CCC(=O)O.O=C1CNCC1CCCCl.
What is the InChIKey of 4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid?
The InChIKey is LKZXWGZFEOOUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO.C3H6O2/c8-3-1-2-6-4-9-5-7(6)10;1-2-3(4)5/h6,9H,1-5H2;2H2,1H3,(H,4,5).
What are the key properties of 4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid?
4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid has a molecular weight of 235.71 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloropropyl)pyrrolidin-3-one;propanoic acid is sourced from PubChem (CID 175180139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).