2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one

C11H15N3O3 — CID 111561544

IUPAC2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CC[C@@H](O)C2)n1
InChIInChI=1S/C11H15N3O3/c1-8-2-3-10(16)14(12-8)7-11(17)13-5-4-9(15)6-13/h2-3,9,15H,4-7H2,1H3/t9-/m1/s1
InChIKeyPEDCGBMXWDKFFX-SECBINFHSA-N
MW237.26 g/mol
LogP-0.86
Rot. Bonds2

About 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one

2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one (PubChem CID 111561544) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
PubChem CID111561544
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CC(=O)N2CC[C@@H](O)C2)n1
InChIInChI=1S/C11H15N3O3/c1-8-2-3-10(16)14(12-8)7-11(17)13-5-4-9(15)6-13/h2-3,9,15H,4-7H2,1H3/t9-/m1/s1
InChIKeyPEDCGBMXWDKFFX-SECBINFHSA-N
XLogP-0.86
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 139772199
6-(3-Hydroxypyrrolidine-1-carbonyl)-2-(2-methoxyethyl)pyridazin-3-one
CID 55130376
2-Butyl-6-(3-hydroxypyrrolidine-1-carbonyl)pyridazin-3-one
CID 55131725
6-(3-Hydroxypyrrolidine-1-carbonyl)-2-propylpyridazin-3-one
CID 55132507
N-(2-hydroxypropyl)-N,1-dimethyl-6-oxopyridazine-3-carboxamide
CID 62332725
1-butyl-N-(2-hydroxypropyl)-N-methyl-6-oxopyridazine-3-carboxamide
CID 62333857
6-(3-Hydroxypyrrolidine-1-carbonyl)-2-methylpyridazin-3-one
CID 62916418
3-(3-hydroxypyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 62917112
2-(3-Hydroxybutyl)-6-methylpyridazin-3-one
CID 62922144
2-(2-Hydroxybutyl)-6-methylpyridazin-3-one
CID 62923922
2-(2-Hydroxypropyl)-6-methyl-2,3-dihydropyridazin-3-one
CID 62924074
6-[2-[(Dimethylamino)methyl]-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
CID 66051617

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one (CID 111561544) is 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CC(=O)N2CC[C@@H](O)C2)n1.
What is the InChIKey of 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
The InChIKey is PEDCGBMXWDKFFX-SECBINFHSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-2-3-10(16)14(12-8)7-11(17)13-5-4-9(15)6-13/h2-3,9,15H,4-7H2,1H3/t9-/m1/s1.
What are the key properties of 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one?
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one has a molecular weight of 237.26 g/mol, XLogP of -0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 111561544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).