4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one

C15H19ClN2O2 — CID 168688054

IUPAC4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CCOCC2)ccc1N1CC(Cl)CC1=O
InChIInChI=1S/C15H19ClN2O2/c1-11-8-13(17-4-6-20-7-5-17)2-3-14(11)18-10-12(16)9-15(18)19/h2-3,8,12H,4-7,9-10H2,1H3
InChIKeyKPCXIEVUOKOBBE-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.18
Rot. Bonds2

About 4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one

4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one (PubChem CID 168688054) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is 4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one
PubChem CID168688054
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one
SMILESCc1cc(N2CCOCC2)ccc1N1CC(Cl)CC1=O
InChIInChI=1S/C15H19ClN2O2/c1-11-8-13(17-4-6-20-7-5-17)2-3-14(11)18-10-12(16)9-15(18)19/h2-3,8,12H,4-7,9-10H2,1H3
InChIKeyKPCXIEVUOKOBBE-UHFFFAOYSA-N
XLogP2.18
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 168688073
1-(3-methyl-4-morpholin-4-ylphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708808
1-(3-methyl-4-morpholin-4-ylphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670404
1-(3-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-sulfonamide
CID 168717645
1-(4-amino-3-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688048
methyl 4-(4-chloro-2-oxopyrrolidin-1-yl)-3-methylbenzoate
CID 168688036
1-(2-fluorophenyl)-N-(2-methyl-4-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55615249
1-(2-amino-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688085
4-(bromomethyl)-1-(4-morpholin-4-ylphenyl)pyrrolidin-2-one
CID 168505583
4-chloro-1-(2,4-dibromo-3,5-dimethylphenyl)pyrrolidin-2-one
CID 168687962
1-(2-bromo-4-methylphenyl)-4-chloropyrrolidin-2-one
CID 168688070
methyl 2-methyl-4-morpholin-4-ylbenzoate
CID 90024135

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one (CID 168688054) is 4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one is Cc1cc(N2CCOCC2)ccc1N1CC(Cl)CC1=O.
What is the InChIKey of 4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one?
The InChIKey is KPCXIEVUOKOBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-11-8-13(17-4-6-20-7-5-17)2-3-14(11)18-10-12(16)9-15(18)19/h2-3,8,12H,4-7,9-10H2,1H3.
What are the key properties of 4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one?
4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one has a molecular weight of 294.78 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-methyl-4-morpholin-4-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168688054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).