6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane]

C12H16N2 — CID 81166977

IUPAC6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane]
SMILESCc1ccc2c(c1)NC1(CCC1)CN2
InChIInChI=1S/C12H16N2/c1-9-3-4-10-11(7-9)14-12(8-13-10)5-2-6-12/h3-4,7,13-14H,2,5-6,8H2,1H3
InChIKeyABCXOZDVDQUZDL-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.76
Rot. Bonds

About 6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane]

6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane] (PubChem CID 81166977) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane].

Molecular Properties

Compound Name6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane]
PubChem CID81166977
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane]
SMILESCc1ccc2c(c1)NC1(CCC1)CN2
InChIInChI=1S/C12H16N2/c1-9-3-4-10-11(7-9)14-12(8-13-10)5-2-6-12/h3-4,7,13-14H,2,5-6,8H2,1H3
InChIKeyABCXOZDVDQUZDL-UHFFFAOYSA-N
XLogP2.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane]?
The IUPAC name of 6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane] (CID 81166977) is 6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane].
What is the SMILES notation for 6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane]?
The canonical SMILES for 6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane] is Cc1ccc2c(c1)NC1(CCC1)CN2.
What is the InChIKey of 6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane]?
The InChIKey is ABCXOZDVDQUZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9-3-4-10-11(7-9)14-12(8-13-10)5-2-6-12/h3-4,7,13-14H,2,5-6,8H2,1H3.
What are the key properties of 6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane]?
6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane] has a molecular weight of 188.27 g/mol, XLogP of 2.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylspiro[2,4-dihydro-1H-quinoxaline-3,1'-cyclobutane] is sourced from PubChem (CID 81166977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).