6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one

C11H15N3O3 — CID 61409129

IUPAC6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC2CO)ccc1=O
InChIInChI=1S/C11H15N3O3/c1-13-10(16)5-4-9(12-13)11(17)14-6-2-3-8(14)7-15/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyIYOLKFBMFVUBIY-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.62
Rot. Bonds2

About 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one

6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 61409129) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID61409129
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCCC2CO)ccc1=O
InChIInChI=1S/C11H15N3O3/c1-13-10(16)5-4-9(12-13)11(17)14-6-2-3-8(14)7-15/h4-5,8,15H,2-3,6-7H2,1H3
InChIKeyIYOLKFBMFVUBIY-UHFFFAOYSA-N
XLogP-0.62
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 ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one (CID 61409129) is 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCCC2CO)ccc1=O.
What is the InChIKey of 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is IYOLKFBMFVUBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13-10(16)5-4-9(12-13)11(17)14-6-2-3-8(14)7-15/h4-5,8,15H,2-3,6-7H2,1H3.
What are the key properties of 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 237.26 g/mol, XLogP of -0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(hydroxymethyl)pyrrolidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 61409129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).