8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine

C11H22N2 — CID 123199405

IUPAC8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)N1CCN2CCCC2(C)C1
InChIInChI=1S/C11H22N2/c1-10(2)12-7-8-13-6-4-5-11(13,3)9-12/h10H,4-9H2,1-3H3
InChIKeyPKRDEPUSSPCFRL-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.56
Rot. Bonds1

About 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine

8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine (PubChem CID 123199405) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
PubChem CID123199405
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
SMILESCC(C)N1CCN2CCCC2(C)C1
InChIInChI=1S/C11H22N2/c1-10(2)12-7-8-13-6-4-5-11(13,3)9-12/h10H,4-9H2,1-3H3
InChIKeyPKRDEPUSSPCFRL-UHFFFAOYSA-N
XLogP1.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine (CID 123199405) is 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine is CC(C)N1CCN2CCCC2(C)C1.
What is the InChIKey of 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
The InChIKey is PKRDEPUSSPCFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(2)12-7-8-13-6-4-5-11(13,3)9-12/h10H,4-9H2,1-3H3.
What are the key properties of 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine has a molecular weight of 182.31 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-methyl-2-propan-2-yl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 123199405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).