6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

C13H19N3O3 — CID 138380751

IUPAC6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCCC2C2(O)CC2)CCC1=O
InChIInChI=1S/C13H19N3O3/c1-15-11(17)5-4-9(14-15)12(18)16-8-2-3-10(16)13(19)6-7-13/h10,19H,2-8H2,1H3
InChIKeyFULKECGUMLJIEV-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.11
Rot. Bonds2

About 6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (PubChem CID 138380751) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
PubChem CID138380751
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
SMILESCN1N=C(C(=O)N2CCCC2C2(O)CC2)CCC1=O
InChIInChI=1S/C13H19N3O3/c1-15-11(17)5-4-9(14-15)12(18)16-8-2-3-10(16)13(19)6-7-13/h10,19H,2-8H2,1H3
InChIKeyFULKECGUMLJIEV-UHFFFAOYSA-N
XLogP0.11
TPSA73.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one (CID 138380751) is 6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is CN1N=C(C(=O)N2CCCC2C2(O)CC2)CCC1=O.
What is the InChIKey of 6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
The InChIKey is FULKECGUMLJIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15-11(17)5-4-9(14-15)12(18)16-8-2-3-10(16)13(19)6-7-13/h10,19H,2-8H2,1H3.
What are the key properties of 6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one?
6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one has a molecular weight of 265.31 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-hydroxycyclopropyl)pyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 138380751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).