4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione

C18H21N3O3 — CID 119066565

IUPAC4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
SMILESCC1(C)CN(C(=O)Cc2cc(=O)[nH][nH]c2=O)CC1c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-18(2)11-21(10-14(18)12-6-4-3-5-7-12)16(23)9-13-8-15(22)19-20-17(13)24/h3-8,14H,9-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyYAIGEFKROIRESP-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.26
Rot. Bonds3

About 4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione

4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione (PubChem CID 119066565) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione.

Molecular Properties

Compound Name4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
PubChem CID119066565
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione
SMILESCC1(C)CN(C(=O)Cc2cc(=O)[nH][nH]c2=O)CC1c1ccccc1
InChIInChI=1S/C18H21N3O3/c1-18(2)11-21(10-14(18)12-6-4-3-5-7-12)16(23)9-13-8-15(22)19-20-17(13)24/h3-8,14H,9-11H2,1-2H3,(H,19,22)(H,20,24)
InChIKeyYAIGEFKROIRESP-UHFFFAOYSA-N
XLogP1.26
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione 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 4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione?
The IUPAC name of 4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione (CID 119066565) is 4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione.
What is the SMILES notation for 4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione?
The canonical SMILES for 4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione is CC1(C)CN(C(=O)Cc2cc(=O)[nH][nH]c2=O)CC1c1ccccc1.
What is the InChIKey of 4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione?
The InChIKey is YAIGEFKROIRESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-18(2)11-21(10-14(18)12-6-4-3-5-7-12)16(23)9-13-8-15(22)19-20-17(13)24/h3-8,14H,9-11H2,1-2H3,(H,19,22)(H,20,24).
What are the key properties of 4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione?
4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione has a molecular weight of 327.38 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,3-dimethyl-4-phenylpyrrolidin-1-yl)-2-oxoethyl]-1,2-dihydropyridazine-3,6-dione is sourced from PubChem (CID 119066565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).