2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine

C8H14N2 — CID 19910066

IUPAC2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine
SMILESCN1CC2=C(CNCC2)C1
InChIInChI=1S/C8H14N2/c1-10-5-7-2-3-9-4-8(7)6-10/h9H,2-6H2,1H3
InChIKeyKDOBRTOJKZDVPR-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.22
Rot. Bonds

About 2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine

2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine (PubChem CID 19910066) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine.

Molecular Properties

Compound Name2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine
PubChem CID19910066
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine
SMILESCN1CC2=C(CNCC2)C1
InChIInChI=1S/C8H14N2/c1-10-5-7-2-3-9-4-8(7)6-10/h9H,2-6H2,1H3
InChIKeyKDOBRTOJKZDVPR-UHFFFAOYSA-N
XLogP0.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine?
The IUPAC name of 2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine (CID 19910066) is 2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine.
What is the SMILES notation for 2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine?
The canonical SMILES for 2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine is CN1CC2=C(CNCC2)C1.
What is the InChIKey of 2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine?
The InChIKey is KDOBRTOJKZDVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-10-5-7-2-3-9-4-8(7)6-10/h9H,2-6H2,1H3.
What are the key properties of 2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine?
2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine has a molecular weight of 138.21 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3,4,5,6,7-hexahydropyrrolo[3,4-c]pyridine is sourced from PubChem (CID 19910066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).