(4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine

C12H22N2 — CID 124676086

IUPAC(4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
SMILESC1CCC(N2CCN[C@H]3CCC[C@@H]32)C1
InChIInChI=1S/C12H22N2/c1-2-5-10(4-1)14-9-8-13-11-6-3-7-12(11)14/h10-13H,1-9H2/t11-,12-/m0/s1
InChIKeyOQGDOGFEPRZHIG-RYUDHWBXSA-N
MW194.32 g/mol
LogP1.76
Rot. Bonds1

About (4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine

(4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine (PubChem CID 124676086) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine.

Molecular Properties

Compound Name(4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
PubChem CID124676086
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine
SMILESC1CCC(N2CCN[C@H]3CCC[C@@H]32)C1
InChIInChI=1S/C12H22N2/c1-2-5-10(4-1)14-9-8-13-11-6-3-7-12(11)14/h10-13H,1-9H2/t11-,12-/m0/s1
InChIKeyOQGDOGFEPRZHIG-RYUDHWBXSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
The IUPAC name of (4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine (CID 124676086) is (4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine.
What is the SMILES notation for (4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
The canonical SMILES for (4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine is C1CCC(N2CCN[C@H]3CCC[C@@H]32)C1.
What is the InChIKey of (4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
The InChIKey is OQGDOGFEPRZHIG-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-5-10(4-1)14-9-8-13-11-6-3-7-12(11)14/h10-13H,1-9H2/t11-,12-/m0/s1.
What are the key properties of (4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine?
(4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine has a molecular weight of 194.32 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,7aS)-4-cyclopentyl-1,2,3,4a,5,6,7,7a-octahydrocyclopenta[b]pyrazine is sourced from PubChem (CID 124676086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).