6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one

C13H15FN2O — CID 115097176

IUPAC6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
SMILESCC(C)N1c2cc(F)ccc2NC(=O)C12CC2
InChIInChI=1S/C13H15FN2O/c1-8(2)16-11-7-9(14)3-4-10(11)15-12(17)13(16)5-6-13/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)
InChIKeyWLUYXUURFOUFJI-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.53
Rot. Bonds1

About 6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one

6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one (PubChem CID 115097176) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
PubChem CID115097176
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
SMILESCC(C)N1c2cc(F)ccc2NC(=O)C12CC2
InChIInChI=1S/C13H15FN2O/c1-8(2)16-11-7-9(14)3-4-10(11)15-12(17)13(16)5-6-13/h3-4,7-8H,5-6H2,1-2H3,(H,15,17)
InChIKeyWLUYXUURFOUFJI-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097791
6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098186
4-ethyl-6-fluorospiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098183
7-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097456
8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097371
5-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097635
4-ethyl-6-fluoro-1,3-dihydroquinoxalin-2-one
CID 79296211
5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097285
7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 115097804
5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097275
7-fluoro-3,3,4,4-tetramethyl-1,5-dihydro-1,5-benzodiazepin-2-one
CID 79291567
8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098042

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one?
The IUPAC name of 6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one (CID 115097176) is 6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one?
The canonical SMILES for 6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one is CC(C)N1c2cc(F)ccc2NC(=O)C12CC2.
What is the InChIKey of 6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one?
The InChIKey is WLUYXUURFOUFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-8(2)16-11-7-9(14)3-4-10(11)15-12(17)13(16)5-6-13/h3-4,7-8H,5-6H2,1-2H3,(H,15,17).
What are the key properties of 6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one?
6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one has a molecular weight of 234.27 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 115097176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).