7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride

C10H17ClN2O — CID 155344836

IUPAC7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride
SMILESC=C1CCC2CNCCN2C1C=O.Cl
InChIInChI=1S/C10H16N2O.ClH/c1-8-2-3-9-6-11-4-5-12(9)10(8)7-13;/h7,9-11H,1-6H2;1H
InChIKeyDSBSLOKYJAHHJY-UHFFFAOYSA-N
MW216.71 g/mol
LogP0.60
Rot. Bonds1

About 7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride

7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride (PubChem CID 155344836) has the molecular formula C10H17ClN2O and a molecular weight of 216.71 g/mol. Its IUPAC name is 7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride.

Molecular Properties

Compound Name7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride
PubChem CID155344836
Molecular FormulaC10H17ClN2O
Molecular Weight216.71 g/mol
Exact Mass216.10
IUPAC Name7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride
SMILESC=C1CCC2CNCCN2C1C=O.Cl
InChIInChI=1S/C10H16N2O.ClH/c1-8-2-3-9-6-11-4-5-12(9)10(8)7-13;/h7,9-11H,1-6H2;1H
InChIKeyDSBSLOKYJAHHJY-UHFFFAOYSA-N
XLogP0.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride?
The IUPAC name of 7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride (CID 155344836) is 7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride.
What is the SMILES notation for 7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride?
The canonical SMILES for 7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride is C=C1CCC2CNCCN2C1C=O.Cl.
What is the InChIKey of 7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride?
The InChIKey is DSBSLOKYJAHHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.ClH/c1-8-2-3-9-6-11-4-5-12(9)10(8)7-13;/h7,9-11H,1-6H2;1H.
What are the key properties of 7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride?
7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride has a molecular weight of 216.71 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-1,2,3,4,6,8,9,9a-octahydropyrido[1,2-a]pyrazine-6-carbaldehyde;hydrochloride is sourced from PubChem (CID 155344836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).