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

C13H16N2O — CID 12886753

IUPACspiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2ccccc2NC12CCCCC2
InChIInChI=1S/C13H16N2O/c16-12-13(8-4-1-5-9-13)15-11-7-3-2-6-10(11)14-12/h2-3,6-7,15H,1,4-5,8-9H2,(H,14,16)
InChIKeyNRVOFCXMWVWSGZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.75
Rot. Bonds

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

spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one (PubChem CID 12886753) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one.

Molecular Properties

Compound Namespiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
PubChem CID12886753
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Namespiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
SMILESO=C1Nc2ccccc2NC12CCCCC2
InChIInChI=1S/C13H16N2O/c16-12-13(8-4-1-5-9-13)15-11-7-3-2-6-10(11)14-12/h2-3,6-7,15H,1,4-5,8-9H2,(H,14,16)
InChIKeyNRVOFCXMWVWSGZ-UHFFFAOYSA-N
XLogP2.75
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 9543539
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CID 1264884
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CID 595203
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CID 759495
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CID 648713
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CID 16070100
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CID 45271143
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CID 2436038
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Frequently Asked Questions

What is the IUPAC name of spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
The IUPAC name of spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one (CID 12886753) is spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one.
What is the SMILES notation for spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
The canonical SMILES for spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one is O=C1Nc2ccccc2NC12CCCCC2.
What is the InChIKey of spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
The InChIKey is NRVOFCXMWVWSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-12-13(8-4-1-5-9-13)15-11-7-3-2-6-10(11)14-12/h2-3,6-7,15H,1,4-5,8-9H2,(H,14,16).
What are the key properties of spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one?
spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.75, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one is sourced from PubChem (CID 12886753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).