4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one

C11H20ClNO2 — CID 168506526

IUPAC4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one
SMILESCC(C)C[C@@H](CO)N1CC(CCl)CC1=O
InChIInChI=1S/C11H20ClNO2/c1-8(2)3-10(7-14)13-6-9(5-12)4-11(13)15/h8-10,14H,3-7H2,1-2H3/t9?,10-/m0/s1
InChIKeyBXMZUDKMMQGIQD-AXDSSHIGSA-N
MW233.74 g/mol
LogP1.48
Rot. Bonds5

About 4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one

4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one (PubChem CID 168506526) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one
PubChem CID168506526
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one
SMILESCC(C)C[C@@H](CO)N1CC(CCl)CC1=O
InChIInChI=1S/C11H20ClNO2/c1-8(2)3-10(7-14)13-6-9(5-12)4-11(13)15/h8-10,14H,3-7H2,1-2H3/t9?,10-/m0/s1
InChIKeyBXMZUDKMMQGIQD-AXDSSHIGSA-N
XLogP1.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.48
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-amino-1-[(2R)-1-hydroxybutan-2-yl]pyrrolidin-2-one
CID 130617471
(2R,3S)-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
CID 168506448
4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one
CID 168506635
4-(chloromethyl)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168506584
4-(chloromethyl)-1-(1-thiophen-2-ylethyl)pyrrolidin-2-one
CID 168506589
4-(chloromethyl)-1-[1-(2,4-difluorophenyl)ethyl]pyrrolidin-2-one
CID 168506566
4-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 131038054
1-(1-hydroxy-4-methylpentan-2-yl)imidazolidin-2-one
CID 104549237
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-2-cyclopentylacetic acid
CID 168506710
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]octanoic acid
CID 168506628
1-(1,3-dihydroxypropan-2-yl)-4-sulfanylpyrrolidin-2-one
CID 168709223
4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one
CID 130995183

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one (CID 168506526) is 4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one is CC(C)C[C@@H](CO)N1CC(CCl)CC1=O.
What is the InChIKey of 4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one?
The InChIKey is BXMZUDKMMQGIQD-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H20ClNO2/c1-8(2)3-10(7-14)13-6-9(5-12)4-11(13)15/h8-10,14H,3-7H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of 4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one?
4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one has a molecular weight of 233.74 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168506526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).