4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one

C11H14ClNO2 — CID 168508347

IUPAC4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CCc1ccoc1
InChIInChI=1S/C11H14ClNO2/c12-6-10-5-11(14)13(7-10)3-1-9-2-4-15-8-9/h2,4,8,10H,1,3,5-7H2
InChIKeyPVLSWOYKQLZFBK-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.91
Rot. Bonds4

About 4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one

4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one (PubChem CID 168508347) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one
PubChem CID168508347
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CCc1ccoc1
InChIInChI=1S/C11H14ClNO2/c12-6-10-5-11(14)13(7-10)3-1-9-2-4-15-8-9/h2,4,8,10H,1,3,5-7H2
InChIKeyPVLSWOYKQLZFBK-UHFFFAOYSA-N
XLogP1.91
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 168507981
1-[2-(furan-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691406
4-(chloromethyl)-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168508277
4-(chloromethyl)-1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168508293
(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one
CID 25396302
4-(chloromethyl)-1-(2-quinolin-6-ylethyl)pyrrolidin-2-one
CID 168508323
4-(chloromethyl)-1-nonylpyrrolidin-2-one
CID 168507077
1-(3-aminopropyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508223
4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168508234
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]propanenitrile
CID 168508201
4-(chloromethyl)-1-[2-(2,3-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168507526
4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one
CID 168508249

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one (CID 168508347) is 4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one is O=C1CC(CCl)CN1CCc1ccoc1.
What is the InChIKey of 4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one?
The InChIKey is PVLSWOYKQLZFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c12-6-10-5-11(14)13(7-10)3-1-9-2-4-15-8-9/h2,4,8,10H,1,3,5-7H2.
What are the key properties of 4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one?
4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one has a molecular weight of 227.69 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 168508347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).