7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride

C9H16Cl2N2 — CID 161114070

IUPAC7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride
SMILESCC1(C)CNCC2=C1CN=C2.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-9(2)6-11-4-7-3-10-5-8(7)9;;/h3,11H,4-6H2,1-2H3;2*1H
InChIKeyJNMUWNKNMKHUNC-UHFFFAOYSA-N
MW223.15 g/mol
LogP1.84
Rot. Bonds

About 7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride

7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride (PubChem CID 161114070) has the molecular formula C9H16Cl2N2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride
PubChem CID161114070
Molecular FormulaC9H16Cl2N2
Molecular Weight223.15 g/mol
Exact Mass222.07
IUPAC Name7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride
SMILESCC1(C)CNCC2=C1CN=C2.Cl.Cl
InChIInChI=1S/C9H14N2.2ClH/c1-9(2)6-11-4-7-3-10-5-8(7)9;;/h3,11H,4-6H2,1-2H3;2*1H
InChIKeyJNMUWNKNMKHUNC-UHFFFAOYSA-N
XLogP1.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-Dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine
CID 58117541
(4,5,5-trimethyl-2,6-dihydro-1H-pyridin-3-yl)methanimine
CID 89009886

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride?
The IUPAC name of 7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride (CID 161114070) is 7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride.
What is the SMILES notation for 7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride?
The canonical SMILES for 7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride is CC1(C)CNCC2=C1CN=C2.Cl.Cl.
What is the InChIKey of 7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride?
The InChIKey is JNMUWNKNMKHUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2.2ClH/c1-9(2)6-11-4-7-3-10-5-8(7)9;;/h3,11H,4-6H2,1-2H3;2*1H.
What are the key properties of 7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride?
7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride has a molecular weight of 223.15 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyridine;dihydrochloride is sourced from PubChem (CID 161114070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).