1-(chloromethyl)pyrrolidin-2-one

C5H8ClNO — CID 2770497

IUPAC1-(chloromethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CCl
InChIInChI=1S/C5H8ClNO/c6-4-7-3-1-2-5(7)8/h1-4H2
InChIKeyKEBMRNXDMRFGNV-UHFFFAOYSA-N
MW133.58 g/mol
LogP0.81
Rot. Bonds1

About 1-(chloromethyl)pyrrolidin-2-one

1-(chloromethyl)pyrrolidin-2-one (PubChem CID 2770497) has the molecular formula C5H8ClNO and a molecular weight of 133.58 g/mol. Its IUPAC name is 1-(chloromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(chloromethyl)pyrrolidin-2-one
PubChem CID2770497
Molecular FormulaC5H8ClNO
Molecular Weight133.58 g/mol
Exact Mass133.03
IUPAC Name1-(chloromethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CCl
InChIInChI=1S/C5H8ClNO/c6-4-7-3-1-2-5(7)8/h1-4H2
InChIKeyKEBMRNXDMRFGNV-UHFFFAOYSA-N
XLogP0.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)pyrrolidin-2-one?
The IUPAC name of 1-(chloromethyl)pyrrolidin-2-one (CID 2770497) is 1-(chloromethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(chloromethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(chloromethyl)pyrrolidin-2-one is O=C1CCCN1CCl.
What is the InChIKey of 1-(chloromethyl)pyrrolidin-2-one?
The InChIKey is KEBMRNXDMRFGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO/c6-4-7-3-1-2-5(7)8/h1-4H2.
What are the key properties of 1-(chloromethyl)pyrrolidin-2-one?
1-(chloromethyl)pyrrolidin-2-one has a molecular weight of 133.58 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)pyrrolidin-2-one is sourced from PubChem (CID 2770497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).