7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine

C9H16N2 — CID 89143372

IUPAC7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine
SMILESCCC1C=C2CNCCN2C1
InChIInChI=1S/C9H16N2/c1-2-8-5-9-6-10-3-4-11(9)7-8/h5,8,10H,2-4,6-7H2,1H3
InChIKeyXNDQTTRLVHMPLQ-UHFFFAOYSA-N
MW152.24 g/mol
LogP0.82
Rot. Bonds1

About 7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine

7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine (PubChem CID 89143372) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine
PubChem CID89143372
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine
SMILESCCC1C=C2CNCCN2C1
InChIInChI=1S/C9H16N2/c1-2-8-5-9-6-10-3-4-11(9)7-8/h5,8,10H,2-4,6-7H2,1H3
InChIKeyXNDQTTRLVHMPLQ-UHFFFAOYSA-N
XLogP0.82
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine (CID 89143372) is 7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine is CCC1C=C2CNCCN2C1.
What is the InChIKey of 7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
The InChIKey is XNDQTTRLVHMPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-8-5-9-6-10-3-4-11(9)7-8/h5,8,10H,2-4,6-7H2,1H3.
What are the key properties of 7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine?
7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine has a molecular weight of 152.24 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,2,3,4,6,7-hexahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 89143372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).