2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide

C16H17FN2O2 — CID 163371362

IUPAC2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide
SMILESNC(=O)CN1CC2(CC2F)c2cc(C3CC3)ccc2C1=O
InChIInChI=1S/C16H17FN2O2/c17-13-6-16(13)8-19(7-14(18)20)15(21)11-4-3-10(5-12(11)16)9-1-2-9/h3-5,9,13H,1-2,6-8H2,(H2,18,20)
InChIKeyGSRAWZFDIHLSJM-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.48
Rot. Bonds3

About 2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide

2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide (PubChem CID 163371362) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide.

Molecular Properties

Compound Name2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide
PubChem CID163371362
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide
SMILESNC(=O)CN1CC2(CC2F)c2cc(C3CC3)ccc2C1=O
InChIInChI=1S/C16H17FN2O2/c17-13-6-16(13)8-19(7-14(18)20)15(21)11-4-3-10(5-12(11)16)9-1-2-9/h3-5,9,13H,1-2,6-8H2,(H2,18,20)
InChIKeyGSRAWZFDIHLSJM-UHFFFAOYSA-N
XLogP1.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide?
The IUPAC name of 2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide (CID 163371362) is 2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide.
What is the SMILES notation for 2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide?
The canonical SMILES for 2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide is NC(=O)CN1CC2(CC2F)c2cc(C3CC3)ccc2C1=O.
What is the InChIKey of 2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide?
The InChIKey is GSRAWZFDIHLSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-13-6-16(13)8-19(7-14(18)20)15(21)11-4-3-10(5-12(11)16)9-1-2-9/h3-5,9,13H,1-2,6-8H2,(H2,18,20).
What are the key properties of 2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide?
2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide has a molecular weight of 288.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-cyclopropyl-2'-fluoro-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetamide is sourced from PubChem (CID 163371362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).