8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline

C12H15ClN2 — CID 84624318

IUPAC8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
SMILESCc1c(Cl)ccc2c1N1CCCC1CN2
InChIInChI=1S/C12H15ClN2/c1-8-10(13)4-5-11-12(8)15-6-2-3-9(15)7-14-11/h4-5,9,14H,2-3,6-7H2,1H3
InChIKeyYSOZPQIFMBGILJ-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.04
Rot. Bonds

About 8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline

8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline (PubChem CID 84624318) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline.

Molecular Properties

Compound Name8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
PubChem CID84624318
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline
SMILESCc1c(Cl)ccc2c1N1CCCC1CN2
InChIInChI=1S/C12H15ClN2/c1-8-10(13)4-5-11-12(8)15-6-2-3-9(15)7-14-11/h4-5,9,14H,2-3,6-7H2,1H3
InChIKeyYSOZPQIFMBGILJ-UHFFFAOYSA-N
XLogP3.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The IUPAC name of 8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline (CID 84624318) is 8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline.
What is the SMILES notation for 8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The canonical SMILES for 8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline is Cc1c(Cl)ccc2c1N1CCCC1CN2.
What is the InChIKey of 8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
The InChIKey is YSOZPQIFMBGILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-8-10(13)4-5-11-12(8)15-6-2-3-9(15)7-14-11/h4-5,9,14H,2-3,6-7H2,1H3.
What are the key properties of 8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline?
8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline has a molecular weight of 222.72 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-9-methyl-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline is sourced from PubChem (CID 84624318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).