6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline

C12H16N2 — CID 57322912

IUPAC6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline
SMILESC1=CC2CN3C=CN=CC3CC2CC1
InChIInChI=1S/C12H16N2/c1-2-4-11-9-14-6-5-13-8-12(14)7-10(11)3-1/h2,4-6,8,10-12H,1,3,7,9H2
InChIKeyHECGLXLLHTWDCA-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.20
Rot. Bonds

About 6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline

6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline (PubChem CID 57322912) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline.

Molecular Properties

Compound Name6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline
PubChem CID57322912
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline
SMILESC1=CC2CN3C=CN=CC3CC2CC1
InChIInChI=1S/C12H16N2/c1-2-4-11-9-14-6-5-13-8-12(14)7-10(11)3-1/h2,4-6,8,10-12H,1,3,7,9H2
InChIKeyHECGLXLLHTWDCA-UHFFFAOYSA-N
XLogP2.20
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline with MolForge

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Launch Full Analysis

Related Compounds

3,6,7,7a,8,9,11a,11b-Octahydropyrazino[2,1-a]isoquinoline-4-thione
CID 21311485
1,2,3,4,7,11,11a,11b-Octahydrobenzo[a]quinolizin-5-ium
CID 21584315
10,10a,11,11a-tetrahydro-6H-pyrazino[1,2-b]isoquinoline
CID 57305163
6-prop-2-enyl-7,8,9,9a,10,10a-hexahydro-4aH-pyrido[2,3-g]quinazoline
CID 70468728
4,6,6a,9,10,10a,11,11a-octahydro-1H-pyrazino[1,2-b]isoquinoline
CID 91193707

Frequently Asked Questions

What is the IUPAC name of 6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline?
The IUPAC name of 6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline (CID 57322912) is 6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline.
What is the SMILES notation for 6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline?
The canonical SMILES for 6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline is C1=CC2CN3C=CN=CC3CC2CC1.
What is the InChIKey of 6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline?
The InChIKey is HECGLXLLHTWDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-2-4-11-9-14-6-5-13-8-12(14)7-10(11)3-1/h2,4-6,8,10-12H,1,3,7,9H2.
What are the key properties of 6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline?
6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline has a molecular weight of 188.27 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a,9,10,10a,11,11a-hexahydro-6H-pyrazino[1,2-b]isoquinoline is sourced from PubChem (CID 57322912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).