3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one

C11H15N3O2 — CID 110671096

IUPAC3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCCC1CCCN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H15N3O2/c1-2-8-4-3-7-14(8)11(16)9-5-6-10(15)13-12-9/h5-6,8H,2-4,7H2,1H3,(H,13,15)
InChIKeyPHOFZTZASZSHCC-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.78
Rot. Bonds2

About 3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one

3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one (PubChem CID 110671096) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
PubChem CID110671096
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
SMILESCCC1CCCN1C(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C11H15N3O2/c1-2-8-4-3-7-14(8)11(16)9-5-6-10(15)13-12-9/h5-6,8H,2-4,7H2,1H3,(H,13,15)
InChIKeyPHOFZTZASZSHCC-UHFFFAOYSA-N
XLogP0.78
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one (CID 110671096) is 3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one is CCC1CCCN1C(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of 3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one?
The InChIKey is PHOFZTZASZSHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-8-4-3-7-14(8)11(16)9-5-6-10(15)13-12-9/h5-6,8H,2-4,7H2,1H3,(H,13,15).
What are the key properties of 3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one?
3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one has a molecular weight of 221.26 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one is sourced from PubChem (CID 110671096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).