3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

C10H15N3O3 — CID 103745686

IUPAC3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1(O)CCN(C(=O)C2=NNC(=O)CC2)C1
InChIInChI=1S/C10H15N3O3/c1-10(16)4-5-13(6-10)9(15)7-2-3-8(14)12-11-7/h16H,2-6H2,1H3,(H,12,14)
InChIKeyXKHRAUCIKCXETH-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.76
Rot. Bonds1

About 3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one

3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 103745686) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
PubChem CID103745686
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1(O)CCN(C(=O)C2=NNC(=O)CC2)C1
InChIInChI=1S/C10H15N3O3/c1-10(16)4-5-13(6-10)9(15)7-2-3-8(14)12-11-7/h16H,2-6H2,1H3,(H,12,14)
InChIKeyXKHRAUCIKCXETH-UHFFFAOYSA-N
XLogP-0.76
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one (CID 103745686) is 3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is CC1(O)CCN(C(=O)C2=NNC(=O)CC2)C1.
What is the InChIKey of 3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is XKHRAUCIKCXETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(16)4-5-13(6-10)9(15)7-2-3-8(14)12-11-7/h16H,2-6H2,1H3,(H,12,14).
What are the key properties of 3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one?
3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 225.25 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 103745686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).