3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one

C11H15N3O — CID 19987435

IUPAC3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one
SMILESCCC1C(=O)NCC1Cc1ccnnc1
InChIInChI=1S/C11H15N3O/c1-2-10-9(7-12-11(10)15)5-8-3-4-13-14-6-8/h3-4,6,9-10H,2,5,7H2,1H3,(H,12,15)
InChIKeyGRNVXSOVLPJCBV-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.79
Rot. Bonds3

About 3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one

3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one (PubChem CID 19987435) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one
PubChem CID19987435
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one
SMILESCCC1C(=O)NCC1Cc1ccnnc1
InChIInChI=1S/C11H15N3O/c1-2-10-9(7-12-11(10)15)5-8-3-4-13-14-6-8/h3-4,6,9-10H,2,5,7H2,1H3,(H,12,15)
InChIKeyGRNVXSOVLPJCBV-UHFFFAOYSA-N
XLogP0.79
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one (CID 19987435) is 3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one is CCC1C(=O)NCC1Cc1ccnnc1.
What is the InChIKey of 3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one?
The InChIKey is GRNVXSOVLPJCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-10-9(7-12-11(10)15)5-8-3-4-13-14-6-8/h3-4,6,9-10H,2,5,7H2,1H3,(H,12,15).
What are the key properties of 3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one?
3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(pyridazin-4-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 19987435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).