1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline

C32H64N8 — CID 159089478

IUPAC1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESCN1CC2CNCC2C1.CN1CCC2CNCC21.CN1CCCC2CNCCC21.CN1CCNC2CCCCC21
InChIInChI=1S/2C9H18N2.2C7H14N2/c1-11-6-2-3-8-7-10-5-4-9(8)11;1-11-7-6-10-8-4-2-3-5-9(8)11;1-9-4-6-2-8-3-7(6)5-9;1-9-3-2-6-4-8-5-7(6)9/h2*8-10H,2-7H2,1H3;2*6-8H,2-5H2,1H3
InChIKeyKBWJDXLKRIFPHW-UHFFFAOYSA-N
MW560.92 g/mol
LogP1.20
Rot. Bonds

About 1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline

1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (PubChem CID 159089478) has the molecular formula C32H64N8 and a molecular weight of 560.92 g/mol. Its IUPAC name is 1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.

Molecular Properties

Compound Name1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
PubChem CID159089478
Molecular FormulaC32H64N8
Molecular Weight560.92 g/mol
Exact Mass560.53
IUPAC Name1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESCN1CC2CNCC2C1.CN1CCC2CNCC21.CN1CCCC2CNCCC21.CN1CCNC2CCCCC21
InChIInChI=1S/2C9H18N2.2C7H14N2/c1-11-6-2-3-8-7-10-5-4-9(8)11;1-11-7-6-10-8-4-2-3-5-9(8)11;1-9-4-6-2-8-3-7(6)5-9;1-9-3-2-6-4-8-5-7(6)9/h2*8-10H,2-7H2,1H3;2*6-8H,2-5H2,1H3
InChIKeyKBWJDXLKRIFPHW-UHFFFAOYSA-N
XLogP1.20
TPSA61.08 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.92
LogP ≤ 51.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The IUPAC name of 1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (CID 159089478) is 1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.
What is the SMILES notation for 1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The canonical SMILES for 1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is CN1CC2CNCC2C1.CN1CCC2CNCC21.CN1CCCC2CNCCC21.CN1CCNC2CCCCC21.
What is the InChIKey of 1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The InChIKey is KBWJDXLKRIFPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2.2C7H14N2/c1-11-6-2-3-8-7-10-5-4-9(8)11;1-11-7-6-10-8-4-2-3-5-9(8)11;1-9-4-6-2-8-3-7(6)5-9;1-9-3-2-6-4-8-5-7(6)9/h2*8-10H,2-7H2,1H3;2*6-8H,2-5H2,1H3.
What are the key properties of 1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline has a molecular weight of 560.92 g/mol, XLogP of 1.20, 0 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole;5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-1,6-naphthyridine;4-methyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is sourced from PubChem (CID 159089478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).