7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one

C13H15ClN2O — CID 79295398

IUPAC7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2cc(Cl)ccc2NC12CCCCC2
InChIInChI=1S/C13H15ClN2O/c14-9-4-5-10-11(8-9)15-12(17)13(16-10)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7H2,(H,15,17)
InChIKeyZTKXVGUYMYJJQN-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.41
Rot. Bonds

About 7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one

7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one (PubChem CID 79295398) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Name7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
PubChem CID79295398
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2cc(Cl)ccc2NC12CCCCC2
InChIInChI=1S/C13H15ClN2O/c14-9-4-5-10-11(8-9)15-12(17)13(16-10)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7H2,(H,15,17)
InChIKeyZTKXVGUYMYJJQN-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
The IUPAC name of 7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one (CID 79295398) is 7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one.
What is the SMILES notation for 7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
The canonical SMILES for 7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one is O=C1Nc2cc(Cl)ccc2NC12CCCCC2.
What is the InChIKey of 7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
The InChIKey is ZTKXVGUYMYJJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-9-4-5-10-11(8-9)15-12(17)13(16-10)6-2-1-3-7-13/h4-5,8,16H,1-3,6-7H2,(H,15,17).
What are the key properties of 7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one has a molecular weight of 250.73 g/mol, XLogP of 3.41, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 79295398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).