6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one

C15H21N3O3 — CID 72850345

IUPAC6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CC(C)(C)[C@](O)(C3CC3)C2)ccc1=O
InChIInChI=1S/C15H21N3O3/c1-14(2)8-18(9-15(14,21)10-4-5-10)13(20)11-6-7-12(19)17(3)16-11/h6-7,10,21H,4-5,8-9H2,1-3H3/t15-/m1/s1
InChIKeyNZSRAPJCLAPWIV-OAHLLOKOSA-N
MW291.35 g/mol
LogP0.40
Rot. Bonds2

About 6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one

6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 72850345) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID72850345
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CC(C)(C)[C@](O)(C3CC3)C2)ccc1=O
InChIInChI=1S/C15H21N3O3/c1-14(2)8-18(9-15(14,21)10-4-5-10)13(20)11-6-7-12(19)17(3)16-11/h6-7,10,21H,4-5,8-9H2,1-3H3/t15-/m1/s1
InChIKeyNZSRAPJCLAPWIV-OAHLLOKOSA-N
XLogP0.40
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one (CID 72850345) is 6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CC(C)(C)[C@](O)(C3CC3)C2)ccc1=O.
What is the InChIKey of 6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is NZSRAPJCLAPWIV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-14(2)8-18(9-15(14,21)10-4-5-10)13(20)11-6-7-12(19)17(3)16-11/h6-7,10,21H,4-5,8-9H2,1-3H3/t15-/m1/s1.
What are the key properties of 6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 291.35 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-cyclopropyl-3-hydroxy-4,4-dimethylpyrrolidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 72850345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).