methyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate

C15H16FNO3 — CID 163371304

IUPACmethyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate
SMILESCOC(=O)CN1CC2(CC2)c2c(ccc(C)c2F)C1=O
InChIInChI=1S/C15H16FNO3/c1-9-3-4-10-12(13(9)16)15(5-6-15)8-17(14(10)19)7-11(18)20-2/h3-4H,5-8H2,1-2H3
InChIKeyQCOOIENFRXZVLO-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.79
Rot. Bonds2

About methyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate

methyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate (PubChem CID 163371304) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is methyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate
PubChem CID163371304
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Namemethyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate
SMILESCOC(=O)CN1CC2(CC2)c2c(ccc(C)c2F)C1=O
InChIInChI=1S/C15H16FNO3/c1-9-3-4-10-12(13(9)16)15(5-6-15)8-17(14(10)19)7-11(18)20-2/h3-4H,5-8H2,1-2H3
InChIKeyQCOOIENFRXZVLO-UHFFFAOYSA-N
XLogP1.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate?
The IUPAC name of methyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate (CID 163371304) is methyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate.
What is the SMILES notation for methyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate?
The canonical SMILES for methyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate is COC(=O)CN1CC2(CC2)c2c(ccc(C)c2F)C1=O.
What is the InChIKey of methyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate?
The InChIKey is QCOOIENFRXZVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-9-3-4-10-12(13(9)16)15(5-6-15)8-17(14(10)19)7-11(18)20-2/h3-4H,5-8H2,1-2H3.
What are the key properties of methyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate?
methyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate has a molecular weight of 277.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-6-methyl-1-oxospiro[3H-isoquinoline-4,1'-cyclopropane]-2-yl)acetate is sourced from PubChem (CID 163371304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).