4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one

C15H19ClN2O2 — CID 168509079

IUPAC4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ccccc1N1CCOCC1
InChIInChI=1S/C15H19ClN2O2/c16-10-12-9-15(19)18(11-12)14-4-2-1-3-13(14)17-5-7-20-8-6-17/h1-4,12H,5-11H2
InChIKeyWLISQBNXCMDDHH-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.11
Rot. Bonds3

About 4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one

4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one (PubChem CID 168509079) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
PubChem CID168509079
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ccccc1N1CCOCC1
InChIInChI=1S/C15H19ClN2O2/c16-10-12-9-15(19)18(11-12)14-4-2-1-3-13(14)17-5-7-20-8-6-17/h1-4,12H,5-11H2
InChIKeyWLISQBNXCMDDHH-UHFFFAOYSA-N
XLogP2.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168509216
4-(morpholine-4-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113189973
S-[1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168706835
4-(chloromethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168509230
4-(chloromethyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-2-one
CID 168509517
1-(2-benzylphenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509240
4-(chloromethyl)-1-(2-propan-2-ylsulfanylphenyl)pyrrolidin-2-one
CID 168506995
methyl 1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 50878785
1-(2-chloro-3-fluorophenyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509484
4-(chloromethyl)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-2-one
CID 168509083
4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 168505583
4-(3-methylpiperidine-1-carbonyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 113190000

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one (CID 168509079) is 4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1ccccc1N1CCOCC1.
What is the InChIKey of 4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one?
The InChIKey is WLISQBNXCMDDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-10-12-9-15(19)18(11-12)14-4-2-1-3-13(14)17-5-7-20-8-6-17/h1-4,12H,5-11H2.
What are the key properties of 4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one has a molecular weight of 294.78 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2-morpholin-4-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168509079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).