1-(2-chloroethyl)pyrrolidin-2-one

C6H10ClNO — CID 3156650

IUPAC1-(2-chloroethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CCCl
InChIInChI=1S/C6H10ClNO/c7-3-5-8-4-1-2-6(8)9/h1-5H2
InChIKeyCWLYHDWHNFLUEI-UHFFFAOYSA-N
MW147.60 g/mol
LogP0.85
Rot. Bonds2

About 1-(2-chloroethyl)pyrrolidin-2-one

1-(2-chloroethyl)pyrrolidin-2-one (PubChem CID 3156650) has the molecular formula C6H10ClNO and a molecular weight of 147.60 g/mol. Its IUPAC name is 1-(2-chloroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chloroethyl)pyrrolidin-2-one
PubChem CID3156650
Molecular FormulaC6H10ClNO
Molecular Weight147.60 g/mol
Exact Mass147.05
IUPAC Name1-(2-chloroethyl)pyrrolidin-2-one
SMILESO=C1CCCN1CCCl
InChIInChI=1S/C6H10ClNO/c7-3-5-8-4-1-2-6(8)9/h1-5H2
InChIKeyCWLYHDWHNFLUEI-UHFFFAOYSA-N
XLogP0.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.60
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-chloroethyl)pyrrolidin-2-one (CID 3156650) is 1-(2-chloroethyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-chloroethyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-chloroethyl)pyrrolidin-2-one is O=C1CCCN1CCCl.
What is the InChIKey of 1-(2-chloroethyl)pyrrolidin-2-one?
The InChIKey is CWLYHDWHNFLUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO/c7-3-5-8-4-1-2-6(8)9/h1-5H2.
What are the key properties of 1-(2-chloroethyl)pyrrolidin-2-one?
1-(2-chloroethyl)pyrrolidin-2-one has a molecular weight of 147.60 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)pyrrolidin-2-one is sourced from PubChem (CID 3156650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).