4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one

C8H14ClNO2 — CID 168508234

IUPAC4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CCCO
InChIInChI=1S/C8H14ClNO2/c9-5-7-4-8(12)10(6-7)2-1-3-11/h7,11H,1-6H2
InChIKeyUEIYZCSMOUSTOO-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.46
Rot. Bonds4

About 4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one

4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one (PubChem CID 168508234) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
PubChem CID168508234
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CCCO
InChIInChI=1S/C8H14ClNO2/c9-5-7-4-8(12)10(6-7)2-1-3-11/h7,11H,1-6H2
InChIKeyUEIYZCSMOUSTOO-UHFFFAOYSA-N
XLogP0.46
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one
CID 168504911
1-(3-aminopropyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508223
4-(chloromethyl)-1-nonylpyrrolidin-2-one
CID 168507077
4-(chloromethyl)-1-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pyrrolidin-2-one
CID 168508268
[1-(3-hydroxypropyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681907
3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]propanenitrile
CID 168508201
4-(chloromethyl)-1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-one
CID 168507422
4-(chloromethyl)-1-(2-piperidin-1-ylethyl)pyrrolidin-2-one
CID 168508249
4-(chloromethyl)-1-[2-(ethylamino)ethyl]pyrrolidin-2-one
CID 168507131
S-[[1-(4-hydroxybutyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667570
4-(chloromethyl)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-2-one
CID 168506958
1-(3-hydroxypropyl)-4-propan-2-ylpyrrolidin-2-one
CID 115773389

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one (CID 168508234) is 4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one is O=C1CC(CCl)CN1CCCO.
What is the InChIKey of 4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one?
The InChIKey is UEIYZCSMOUSTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c9-5-7-4-8(12)10(6-7)2-1-3-11/h7,11H,1-6H2.
What are the key properties of 4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one has a molecular weight of 191.66 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(3-hydroxypropyl)pyrrolidin-2-one is sourced from PubChem (CID 168508234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).