3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one

C14H12FNO — CID 175917335

IUPAC3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one
SMILESO=C1N=C(C2(F)CC2)C2(CC2)c2ccccc21
InChIInChI=1S/C14H12FNO/c15-14(7-8-14)12-13(5-6-13)10-4-2-1-3-9(10)11(17)16-12/h1-4H,5-8H2
InChIKeyGRXDOVJUZXNIAU-UHFFFAOYSA-N
MW229.25 g/mol
LogP2.82
Rot. Bonds1

About 3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one

3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one (PubChem CID 175917335) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is 3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one.

Molecular Properties

Compound Name3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one
PubChem CID175917335
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one
SMILESO=C1N=C(C2(F)CC2)C2(CC2)c2ccccc21
InChIInChI=1S/C14H12FNO/c15-14(7-8-14)12-13(5-6-13)10-4-2-1-3-9(10)11(17)16-12/h1-4H,5-8H2
InChIKeyGRXDOVJUZXNIAU-UHFFFAOYSA-N
XLogP2.82
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one?
The IUPAC name of 3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one (CID 175917335) is 3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one.
What is the SMILES notation for 3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one?
The canonical SMILES for 3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one is O=C1N=C(C2(F)CC2)C2(CC2)c2ccccc21.
What is the InChIKey of 3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one?
The InChIKey is GRXDOVJUZXNIAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c15-14(7-8-14)12-13(5-6-13)10-4-2-1-3-9(10)11(17)16-12/h1-4H,5-8H2.
What are the key properties of 3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one?
3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one has a molecular weight of 229.25 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-(1-fluorocyclopropyl)spiro[cyclopropane-1,4'-isoquinoline]-1'-one is sourced from PubChem (CID 175917335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).