5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one

C13H15ClN2O — CID 115097277

IUPAC5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
SMILESCCN1c2c(Cl)cccc2NC(=O)C12CCC2
InChIInChI=1S/C13H15ClN2O/c1-2-16-11-9(14)5-3-6-10(11)15-12(17)13(16)7-4-8-13/h3,5-6H,2,4,7-8H2,1H3,(H,15,17)
InChIKeyTVCPGLDNLUYLTH-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.04
Rot. Bonds1

About 5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one

5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one (PubChem CID 115097277) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one.

Molecular Properties

Compound Name5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
PubChem CID115097277
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
SMILESCCN1c2c(Cl)cccc2NC(=O)C12CCC2
InChIInChI=1S/C13H15ClN2O/c1-2-16-11-9(14)5-3-6-10(11)15-12(17)13(16)7-4-8-13/h3,5-6H,2,4,7-8H2,1H3,(H,15,17)
InChIKeyTVCPGLDNLUYLTH-UHFFFAOYSA-N
XLogP3.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097278
4-ethyl-5-methylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097630
4-ethyl-5-methoxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115097958
4-ethyl-5-fluorospiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115096911
5-methyl-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097275
4-ethyl-8-fluorospiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098036
4-ethyl-6-fluorospiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098183
4-ethyl-6-hydroxyspiro[1H-quinoxaline-3,1'-cyclohexane]-2-one
CID 115098187
5-methoxy-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one
CID 115097285
5-fluoro-4-propan-2-ylspiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 115097635
8-chlorospiro[4H-1,4-benzothiazine-2,1'-cyclopropane]-3-one
CID 115096866
5-bromo-4-methylspiro[1H-quinoxaline-3,1'-cyclopropane]-2-one
CID 115096887

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The IUPAC name of 5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one (CID 115097277) is 5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one.
What is the SMILES notation for 5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The canonical SMILES for 5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one is CCN1c2c(Cl)cccc2NC(=O)C12CCC2.
What is the InChIKey of 5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
The InChIKey is TVCPGLDNLUYLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-2-16-11-9(14)5-3-6-10(11)15-12(17)13(16)7-4-8-13/h3,5-6H,2,4,7-8H2,1H3,(H,15,17).
What are the key properties of 5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one?
5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one has a molecular weight of 250.73 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-ethylspiro[1H-quinoxaline-3,1'-cyclobutane]-2-one is sourced from PubChem (CID 115097277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).