3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one

C17H19N3O2 — CID 51089263

IUPAC3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCCC1CCc1ccccc1
InChIInChI=1S/C17H19N3O2/c21-16-11-10-15(18-19-16)17(22)20-12-4-7-14(20)9-8-13-5-2-1-3-6-13/h1-3,5-6,10-11,14H,4,7-9,12H2,(H,19,21)
InChIKeyRPAPPYYQCOAJSV-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.01
Rot. Bonds4

About 3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one

3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 51089263) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID51089263
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(c1ccc(=O)[nH]n1)N1CCCC1CCc1ccccc1
InChIInChI=1S/C17H19N3O2/c21-16-11-10-15(18-19-16)17(22)20-12-4-7-14(20)9-8-13-5-2-1-3-6-13/h1-3,5-6,10-11,14H,4,7-9,12H2,(H,19,21)
InChIKeyRPAPPYYQCOAJSV-UHFFFAOYSA-N
XLogP2.01
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one (CID 51089263) is 3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one is O=C(c1ccc(=O)[nH]n1)N1CCCC1CCc1ccccc1.
What is the InChIKey of 3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is RPAPPYYQCOAJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c21-16-11-10-15(18-19-16)17(22)20-12-4-7-14(20)9-8-13-5-2-1-3-6-13/h1-3,5-6,10-11,14H,4,7-9,12H2,(H,19,21).
What are the key properties of 3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one?
3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 297.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-phenylethyl)pyrrolidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 51089263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).