5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

C17H17ClN2O3 — CID 97076234

IUPAC5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)ccc1=O
InChIInChI=1S/C17H17ClN2O3/c1-19-10-12(5-6-16(19)21)17(22)20-8-7-15(11-20)23-14-4-2-3-13(18)9-14/h2-6,9-10,15H,7-8,11H2,1H3/t15-/m0/s1
InChIKeyRPEGUNXYZUFSKJ-HNNXBMFYSA-N
MW332.79 g/mol
LogP2.33
Rot. Bonds3

About 5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one

5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 97076234) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID97076234
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)ccc1=O
InChIInChI=1S/C17H17ClN2O3/c1-19-10-12(5-6-16(19)21)17(22)20-8-7-15(11-20)23-14-4-2-3-13(18)9-14/h2-6,9-10,15H,7-8,11H2,1H3/t15-/m0/s1
InChIKeyRPEGUNXYZUFSKJ-HNNXBMFYSA-N
XLogP2.33
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one (CID 97076234) is 5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is Cn1cc(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)ccc1=O.
What is the InChIKey of 5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is RPEGUNXYZUFSKJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-19-10-12(5-6-16(19)21)17(22)20-8-7-15(11-20)23-14-4-2-3-13(18)9-14/h2-6,9-10,15H,7-8,11H2,1H3/t15-/m0/s1.
What are the key properties of 5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one?
5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 332.79 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-(3-chlorophenoxy)pyrrolidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 97076234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).