7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole

C11H14N2 — CID 18520363

IUPAC7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole
SMILESC1=CN2C3=CCCCC3CC2C=N1
InChIInChI=1S/C11H14N2/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11/h4-6,8-10H,1-3,7H2
InChIKeyIDOLMSWHVAKNLQ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.30
Rot. Bonds

About 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole

7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole (PubChem CID 18520363) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole
PubChem CID18520363
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole
SMILESC1=CN2C3=CCCCC3CC2C=N1
InChIInChI=1S/C11H14N2/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11/h4-6,8-10H,1-3,7H2
InChIKeyIDOLMSWHVAKNLQ-UHFFFAOYSA-N
XLogP2.30
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole?
The IUPAC name of 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole (CID 18520363) is 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole.
What is the SMILES notation for 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole?
The canonical SMILES for 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole is C1=CN2C3=CCCCC3CC2C=N1.
What is the InChIKey of 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole?
The InChIKey is IDOLMSWHVAKNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-2-4-11-9(3-1)7-10-8-12-5-6-13(10)11/h4-6,8-10H,1-3,7H2.
What are the key properties of 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole?
7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole has a molecular weight of 174.25 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,9a,10,10a-hexahydropyrazino[1,2-a]indole is sourced from PubChem (CID 18520363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).