7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one

C16H15N3O3 — CID 154463730

IUPAC7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one
SMILESCc1ccn(CC(=O)c2cccc3c2C(=O)OC32CNC2)n1
InChIInChI=1S/C16H15N3O3/c1-10-5-6-19(18-10)7-13(20)11-3-2-4-12-14(11)15(21)22-16(12)8-17-9-16/h2-6,17H,7-9H2,1H3
InChIKeyOGVKAFPLPDSNBD-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.04
Rot. Bonds3

About 7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one

7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one (PubChem CID 154463730) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one.

Molecular Properties

Compound Name7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one
PubChem CID154463730
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one
SMILESCc1ccn(CC(=O)c2cccc3c2C(=O)OC32CNC2)n1
InChIInChI=1S/C16H15N3O3/c1-10-5-6-19(18-10)7-13(20)11-3-2-4-12-14(11)15(21)22-16(12)8-17-9-16/h2-6,17H,7-9H2,1H3
InChIKeyOGVKAFPLPDSNBD-UHFFFAOYSA-N
XLogP1.04
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one?
The IUPAC name of 7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one (CID 154463730) is 7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one.
What is the SMILES notation for 7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one?
The canonical SMILES for 7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one is Cc1ccn(CC(=O)c2cccc3c2C(=O)OC32CNC2)n1.
What is the InChIKey of 7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one?
The InChIKey is OGVKAFPLPDSNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-10-5-6-19(18-10)7-13(20)11-3-2-4-12-14(11)15(21)22-16(12)8-17-9-16/h2-6,17H,7-9H2,1H3.
What are the key properties of 7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one?
7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one has a molecular weight of 297.31 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(3-methylpyrazol-1-yl)acetyl]spiro[2-benzofuran-3,3'-azetidine]-1-one is sourced from PubChem (CID 154463730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).