1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one

C11H15N3O — CID 116973110

IUPAC1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one
SMILESCC(C)c1ccc(N2CCC(=O)C2)nn1
InChIInChI=1S/C11H15N3O/c1-8(2)10-3-4-11(13-12-10)14-6-5-9(15)7-14/h3-4,8H,5-7H2,1-2H3
InChIKeySWMLGCPKEUULLL-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.38
Rot. Bonds2

About 1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one

1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one (PubChem CID 116973110) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one
PubChem CID116973110
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one
SMILESCC(C)c1ccc(N2CCC(=O)C2)nn1
InChIInChI=1S/C11H15N3O/c1-8(2)10-3-4-11(13-12-10)14-6-5-9(15)7-14/h3-4,8H,5-7H2,1-2H3
InChIKeySWMLGCPKEUULLL-UHFFFAOYSA-N
XLogP1.38
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one?
The IUPAC name of 1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one (CID 116973110) is 1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one.
What is the SMILES notation for 1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one?
The canonical SMILES for 1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one is CC(C)c1ccc(N2CCC(=O)C2)nn1.
What is the InChIKey of 1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one?
The InChIKey is SWMLGCPKEUULLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-8(2)10-3-4-11(13-12-10)14-6-5-9(15)7-14/h3-4,8H,5-7H2,1-2H3.
What are the key properties of 1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one?
1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one has a molecular weight of 205.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-propan-2-ylpyridazin-3-yl)pyrrolidin-3-one is sourced from PubChem (CID 116973110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).