3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one

C13H13N3O3 — CID 110667360

IUPAC3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCC(c2ccco2)C1
InChIInChI=1S/C13H13N3O3/c17-12-4-3-10(14-15-12)13(18)16-6-5-9(8-16)11-2-1-7-19-11/h1-4,7,9H,5-6,8H2,(H,15,17)
InChIKeyUUNODXPSUDKICT-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.99
Rot. Bonds2

About 3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one

3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 110667360) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID110667360
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCC(c2ccco2)C1
InChIInChI=1S/C13H13N3O3/c17-12-4-3-10(14-15-12)13(18)16-6-5-9(8-16)11-2-1-7-19-11/h1-4,7,9H,5-6,8H2,(H,15,17)
InChIKeyUUNODXPSUDKICT-UHFFFAOYSA-N
XLogP0.99
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(furan-2-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 110667356
3-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 95845426
3-(furan-2-yl)pyrrolidine-1-carboxamide
CID 131041480
[3-(furan-2-yl)pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110603786
3-[2-(hydroxymethyl)morpholine-4-carbonyl]-1H-pyridazin-6-one
CID 81208326
3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805953
3-[(3S)-3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
CID 95816432
3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200
3-(3,5-dimethylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 5227998
3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805714
3-(furan-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide
CID 154851372
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 38390180

Frequently Asked Questions

What is the IUPAC name of 3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one (CID 110667360) is 3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCC(c2ccco2)C1.
What is the InChIKey of 3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is UUNODXPSUDKICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c17-12-4-3-10(14-15-12)13(18)16-6-5-9(8-16)11-2-1-7-19-11/h1-4,7,9H,5-6,8H2,(H,15,17).
What are the key properties of 3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 259.26 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(furan-2-yl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 110667360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).