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

C14H18N2O — CID 4184445

IUPACspiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one
SMILESO=C1Nc2ccccc2NC12CCCCCC2
InChIInChI=1S/C14H18N2O/c17-13-14(9-5-1-2-6-10-14)16-12-8-4-3-7-11(12)15-13/h3-4,7-8,16H,1-2,5-6,9-10H2,(H,15,17)
InChIKeyICCFLXBEHXZMLT-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.14
Rot. Bonds

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

spiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one (PubChem CID 4184445) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is spiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one.

Molecular Properties

Compound Namespiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one
PubChem CID4184445
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Namespiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one
SMILESO=C1Nc2ccccc2NC12CCCCCC2
InChIInChI=1S/C14H18N2O/c17-13-14(9-5-1-2-6-10-14)16-12-8-4-3-7-11(12)15-13/h3-4,7-8,16H,1-2,5-6,9-10H2,(H,15,17)
InChIKeyICCFLXBEHXZMLT-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one?
The IUPAC name of spiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one (CID 4184445) is spiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one.
What is the SMILES notation for spiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one?
The canonical SMILES for spiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one is O=C1Nc2ccccc2NC12CCCCCC2.
What is the InChIKey of spiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one?
The InChIKey is ICCFLXBEHXZMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-13-14(9-5-1-2-6-10-14)16-12-8-4-3-7-11(12)15-13/h3-4,7-8,16H,1-2,5-6,9-10H2,(H,15,17).
What are the key properties of spiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one?
spiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one has a molecular weight of 230.31 g/mol, XLogP of 3.14, 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'-cycloheptane]-2-one is sourced from PubChem (CID 4184445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).