1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride

C8H16Cl2N2 — CID 19047597

IUPAC1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride
SMILESCN1CCC=C2CNCC21.Cl.Cl
InChIInChI=1S/C8H14N2.2ClH/c1-10-4-2-3-7-5-9-6-8(7)10;;/h3,8-9H,2,4-6H2,1H3;2*1H
InChIKeyVTLSLWFZSUSVDO-UHFFFAOYSA-N
MW211.14 g/mol
LogP1.06
Rot. Bonds

About 1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride

1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride (PubChem CID 19047597) has the molecular formula C8H16Cl2N2 and a molecular weight of 211.14 g/mol. Its IUPAC name is 1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride.

Molecular Properties

Compound Name1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride
PubChem CID19047597
Molecular FormulaC8H16Cl2N2
Molecular Weight211.14 g/mol
Exact Mass210.07
IUPAC Name1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride
SMILESCN1CCC=C2CNCC21.Cl.Cl
InChIInChI=1S/C8H14N2.2ClH/c1-10-4-2-3-7-5-9-6-8(7)10;;/h3,8-9H,2,4-6H2,1H3;2*1H
InChIKeyVTLSLWFZSUSVDO-UHFFFAOYSA-N
XLogP1.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride?
The IUPAC name of 1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride (CID 19047597) is 1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride.
What is the SMILES notation for 1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride?
The canonical SMILES for 1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride is CN1CCC=C2CNCC21.Cl.Cl.
What is the InChIKey of 1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride?
The InChIKey is VTLSLWFZSUSVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.2ClH/c1-10-4-2-3-7-5-9-6-8(7)10;;/h3,8-9H,2,4-6H2,1H3;2*1H.
What are the key properties of 1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride?
1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride has a molecular weight of 211.14 g/mol, XLogP of 1.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3,5,6,7,7a-hexahydropyrrolo[3,4-b]pyridine;dihydrochloride is sourced from PubChem (CID 19047597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).