1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

C15H30N4 — CID 89465508

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESC1CC2CNCCN2C1.C1CCC2NCCNC2C1
InChIInChI=1S/C8H16N2.C7H14N2/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-7-6-8-3-5-9(7)4-1/h7-10H,1-6H2;7-8H,1-6H2
InChIKeyULDQIEFOIOSGTF-UHFFFAOYSA-N
MW266.43 g/mol
LogP0.54
Rot. Bonds

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine

1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (PubChem CID 89465508) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
PubChem CID89465508
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine
SMILESC1CC2CNCCN2C1.C1CCC2NCCNC2C1
InChIInChI=1S/C8H16N2.C7H14N2/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-7-6-8-3-5-9(7)4-1/h7-10H,1-6H2;7-8H,1-6H2
InChIKeyULDQIEFOIOSGTF-UHFFFAOYSA-N
XLogP0.54
TPSA39.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine (CID 89465508) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is C1CC2CNCCN2C1.C1CCC2NCCNC2C1.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
The InChIKey is ULDQIEFOIOSGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C7H14N2/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-7-6-8-3-5-9(7)4-1/h7-10H,1-6H2;7-8H,1-6H2.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine has a molecular weight of 266.43 g/mol, XLogP of 0.54, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline;1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 89465508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).