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

C12H14N2O — CID 12886755

IUPACspiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C1Nc2ccccc2NC12CCCC2
InChIInChI=1S/C12H14N2O/c15-11-12(7-3-4-8-12)14-10-6-2-1-5-9(10)13-11/h1-2,5-6,14H,3-4,7-8H2,(H,13,15)
InChIKeyWPXIPUXNPWABDI-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.36
Rot. Bonds

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

spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one (PubChem CID 12886755) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one.

Molecular Properties

Compound Namespiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
PubChem CID12886755
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Namespiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one
SMILESO=C1Nc2ccccc2NC12CCCC2
InChIInChI=1S/C12H14N2O/c15-11-12(7-3-4-8-12)14-10-6-2-1-5-9(10)13-11/h1-2,5-6,14H,3-4,7-8H2,(H,13,15)
InChIKeyWPXIPUXNPWABDI-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.36
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'-cyclopentane]-2-one?
The IUPAC name of spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one (CID 12886755) is spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one.
What is the SMILES notation for spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
The canonical SMILES for spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one is O=C1Nc2ccccc2NC12CCCC2.
What is the InChIKey of spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
The InChIKey is WPXIPUXNPWABDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c15-11-12(7-3-4-8-12)14-10-6-2-1-5-9(10)13-11/h1-2,5-6,14H,3-4,7-8H2,(H,13,15).
What are the key properties of spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one?
spiro[1,4-dihydroquinoxaline-3,1'-cyclopentane]-2-one has a molecular weight of 202.26 g/mol, XLogP of 2.36, 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'-cyclopentane]-2-one is sourced from PubChem (CID 12886755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).