3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one

C15H17FN2O2 — CID 67757612

IUPAC3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(CN2CCOC(c3ccccc3F)C2)CN1
InChIInChI=1S/C15H17FN2O2/c16-13-4-2-1-3-12(13)14-10-18(5-6-20-14)9-11-7-15(19)17-8-11/h1-4,7,14H,5-6,8-10H2,(H,17,19)
InChIKeyKCNRZYOTSYQZAM-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.26
Rot. Bonds3

About 3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one

3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one (PubChem CID 67757612) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one
PubChem CID67757612
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one
SMILESO=C1C=C(CN2CCOC(c3ccccc3F)C2)CN1
InChIInChI=1S/C15H17FN2O2/c16-13-4-2-1-3-12(13)14-10-18(5-6-20-14)9-11-7-15(19)17-8-11/h1-4,7,14H,5-6,8-10H2,(H,17,19)
InChIKeyKCNRZYOTSYQZAM-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 21789
CID 21789
CID 12343540
CID 12343540
CID 23512
CID 23512
CID 164609717
CID 164609717
CID 2842448
CID 2842448
CID 3749227
CID 3749227
CID 24271513
CID 24271513
CID 4051780
CID 4051780
CID 43350803
CID 43350803
CID 43350804
CID 43350804
CID 52113406
CID 52113406
CID 2902265
CID 2902265

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one (CID 67757612) is 3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one is O=C1C=C(CN2CCOC(c3ccccc3F)C2)CN1.
What is the InChIKey of 3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one?
The InChIKey is KCNRZYOTSYQZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-13-4-2-1-3-12(13)14-10-18(5-6-20-14)9-11-7-15(19)17-8-11/h1-4,7,14H,5-6,8-10H2,(H,17,19).
What are the key properties of 3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one?
3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one has a molecular weight of 276.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-fluorophenyl)morpholin-4-yl]methyl]-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 67757612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).