7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

C15H19FN2O — CID 115097791

IUPAC7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESCC(C)N1c2ccc(F)cc2NC(=O)C12CCCC2
InChIInChI=1S/C15H19FN2O/c1-10(2)18-13-6-5-11(16)9-12(13)17-14(19)15(18)7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyYQVLSLIJEIDFHL-UHFFFAOYSA-N
MW262.33 g/mol
LogP3.31
Rot. Bonds1

About 7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 115097791) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Name7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
PubChem CID115097791
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
SMILESCC(C)N1c2ccc(F)cc2NC(=O)C12CCCC2
InChIInChI=1S/C15H19FN2O/c1-10(2)18-13-6-5-11(16)9-12(13)17-14(19)15(18)7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyYQVLSLIJEIDFHL-UHFFFAOYSA-N
XLogP3.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115097176
6-chloro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098186
7-fluoro-4-propan-2-ylspiro[1,2-dihydroquinoxaline-3,1'-cyclopentane]
CID 115097804
5-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097635
4-ethyl-6-fluorospiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098183
8-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097371
8-hydroxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098042
6-fluorospiro[1H-indole-3,1'-cyclopentane]-2-one
CID 67232508
5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097285
5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097275
6-fluorospiro[1H-indole-3,1'-cyclohexane]-2-one
CID 69159711
4-methyl-7-(trifluoromethyl)spiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097432

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The IUPAC name of 7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one (CID 115097791) is 7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for 7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for 7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is CC(C)N1c2ccc(F)cc2NC(=O)C12CCCC2.
What is the InChIKey of 7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is YQVLSLIJEIDFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-10(2)18-13-6-5-11(16)9-12(13)17-14(19)15(18)7-3-4-8-15/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19).
What are the key properties of 7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one?
7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 262.33 g/mol, XLogP of 3.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 115097791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).