1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

C19H20N4O4 — CID 126945180

About 1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one

1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (PubChem CID 126945180) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• PubChem CID: 126945180
• Molecular Formula: C19H20N4O4
• Molecular Weight: 368.39 g/mol
• Exact Mass: 368.15
• IUPAC Name: 1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
• SMILES: O=C(c1cccc2c1OCCO2)N1CC(n2cc(N3CCCC3=O)cn2)C1
• InChI: InChI=1S/C19H20N4O4/c24-17-5-2-6-22(17)13-9-20-23(12-13)14-10-21(11-14)19(25)15-3-1-4-16-18(15)27-8-7-26-16/h1,3-4,9,12,14H,2,5-8,10-11H2
• InChIKey: HJVFVLZHWKCLRI-UHFFFAOYSA-N
• XLogP: 1.48
• TPSA: 76.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.39
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The IUPAC name of 1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one (CID 126945180) is 1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The canonical SMILES for 1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is O=C(c1cccc2c1OCCO2)N1CC(n2cc(N3CCCC3=O)cn2)C1.

What is the InChIKey of 1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

The InChIKey is HJVFVLZHWKCLRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-17-5-2-6-22(17)13-9-20-23(12-13)14-10-21(11-14)19(25)15-3-1-4-16-18(15)27-8-7-26-16/h1,3-4,9,12,14H,2,5-8,10-11H2.

What are the key properties of 1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one?

1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one has a molecular weight of 368.39 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126945180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).