2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one

C19H19N3O3 — CID 135620487

IUPAC2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)[nH]ncc3[nH]2)c2c1OC1(CCCC1)C2
InChIInChI=1S/C19H19N3O3/c1-24-16-5-4-11(13-9-19(25-17(13)16)6-2-3-7-19)14-8-12-15(21-14)10-20-22-18(12)23/h4-5,8,10,21H,2-3,6-7,9H2,1H3,(H,22,23)
InChIKeyOAIYOBUOCXYCNN-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.17
Rot. Bonds2

About 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one

2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one (PubChem CID 135620487) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
PubChem CID135620487
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one
SMILESCOc1ccc(-c2cc3c(=O)[nH]ncc3[nH]2)c2c1OC1(CCCC1)C2
InChIInChI=1S/C19H19N3O3/c1-24-16-5-4-11(13-9-19(25-17(13)16)6-2-3-7-19)14-8-12-15(21-14)10-20-22-18(12)23/h4-5,8,10,21H,2-3,6-7,9H2,1H3,(H,22,23)
InChIKeyOAIYOBUOCXYCNN-UHFFFAOYSA-N
XLogP3.17
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The IUPAC name of 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one (CID 135620487) is 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one.
What is the SMILES notation for 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The canonical SMILES for 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one is COc1ccc(-c2cc3c(=O)[nH]ncc3[nH]2)c2c1OC1(CCCC1)C2.
What is the InChIKey of 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
The InChIKey is OAIYOBUOCXYCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-16-5-4-11(13-9-19(25-17(13)16)6-2-3-7-19)14-8-12-15(21-14)10-20-22-18(12)23/h4-5,8,10,21H,2-3,6-7,9H2,1H3,(H,22,23).
What are the key properties of 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one?
2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one has a molecular weight of 337.38 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxyspiro[3H-1-benzofuran-2,1'-cyclopentane]-4-yl)-1,5-dihydropyrrolo[2,3-d]pyridazin-4-one is sourced from PubChem (CID 135620487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).