4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one

C14H27ClN2O2 — CID 168506635

IUPAC4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one
SMILESCCN(CCO)CCCC(C)N1CC(CCl)CC1=O
InChIInChI=1S/C14H27ClN2O2/c1-3-16(7-8-18)6-4-5-12(2)17-11-13(10-15)9-14(17)19/h12-13,18H,3-11H2,1-2H3
InChIKeyFGVQCKRIMYMIRT-UHFFFAOYSA-N
MW290.83 g/mol
LogP1.56
Rot. Bonds9

About 4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one

4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one (PubChem CID 168506635) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.83 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one
PubChem CID168506635
Molecular FormulaC14H27ClN2O2
Molecular Weight290.83 g/mol
Exact Mass290.18
IUPAC Name4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one
SMILESCCN(CCO)CCCC(C)N1CC(CCl)CC1=O
InChIInChI=1S/C14H27ClN2O2/c1-3-16(7-8-18)6-4-5-12(2)17-11-13(10-15)9-14(17)19/h12-13,18H,3-11H2,1-2H3
InChIKeyFGVQCKRIMYMIRT-UHFFFAOYSA-N
XLogP1.56
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.83
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one
CID 168503315
S-[[1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168665979
1-[5-(diethylamino)pentan-2-yl]-4-ethenylpyrrolidin-2-one
CID 168683630
1-[5-(diethylamino)pentan-2-yl]-5-oxopyrrolidine-3-sulfonyl chloride
CID 168710947
4-(chloromethyl)-1-[(2S)-1-hydroxy-4-methylpentan-2-yl]pyrrolidin-2-one
CID 168506526
2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]octanoic acid
CID 168506628
(2R,3S)-2-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]-3-methylpentanoic acid
CID 168506448
4-(chloromethyl)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168506584
4-(chloromethyl)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]pyrrolidin-2-one
CID 168507124
4-amino-1-[(2R)-1-hydroxypropan-2-yl]pyrrolidin-2-one
CID 131038054
4-(chloromethyl)-1-[4-(4-methoxyphenyl)butan-2-yl]pyrrolidin-2-one
CID 168506535
3-[5-(diethylamino)pentan-2-yl]-2-propan-2-ylimidazolidin-4-one
CID 83238825

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one (CID 168506635) is 4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one is CCN(CCO)CCCC(C)N1CC(CCl)CC1=O.
What is the InChIKey of 4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one?
The InChIKey is FGVQCKRIMYMIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClN2O2/c1-3-16(7-8-18)6-4-5-12(2)17-11-13(10-15)9-14(17)19/h12-13,18H,3-11H2,1-2H3.
What are the key properties of 4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one?
4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one has a molecular weight of 290.83 g/mol, XLogP of 1.56, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[5-[ethyl(2-hydroxyethyl)amino]pentan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168506635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).