2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one

C12H17N3O3 — CID 107507885

IUPAC2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCOCC(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C12H17N3O3/c1-18-9-11(16)8-15-12(17)6-10(7-13-15)14-4-2-3-5-14/h6-7H,2-5,8-9H2,1H3
InChIKeySNBRFUWIJJYADO-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.06
Rot. Bonds5

About 2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one

2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one (PubChem CID 107507885) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one
PubChem CID107507885
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one
SMILESCOCC(=O)Cn1ncc(N2CCCC2)cc1=O
InChIInChI=1S/C12H17N3O3/c1-18-9-11(16)8-15-12(17)6-10(7-13-15)14-4-2-3-5-14/h6-7H,2-5,8-9H2,1H3
InChIKeySNBRFUWIJJYADO-UHFFFAOYSA-N
XLogP0.06
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The IUPAC name of 2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one (CID 107507885) is 2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one is COCC(=O)Cn1ncc(N2CCCC2)cc1=O.
What is the InChIKey of 2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one?
The InChIKey is SNBRFUWIJJYADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-9-11(16)8-15-12(17)6-10(7-13-15)14-4-2-3-5-14/h6-7H,2-5,8-9H2,1H3.
What are the key properties of 2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one?
2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one has a molecular weight of 251.29 g/mol, XLogP of 0.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-2-oxopropyl)-5-pyrrolidin-1-ylpyridazin-3-one is sourced from PubChem (CID 107507885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).