2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine

C8H14N2 — CID 19047600

IUPAC2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine
SMILESCC1CC=C2CNCC2N1
InChIInChI=1S/C8H14N2/c1-6-2-3-7-4-9-5-8(7)10-6/h3,6,8-10H,2,4-5H2,1H3
InChIKeyNSWYKPBOPCHODO-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.27
Rot. Bonds

About 2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine

2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine (PubChem CID 19047600) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine
PubChem CID19047600
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine
SMILESCC1CC=C2CNCC2N1
InChIInChI=1S/C8H14N2/c1-6-2-3-7-4-9-5-8(7)10-6/h3,6,8-10H,2,4-5H2,1H3
InChIKeyNSWYKPBOPCHODO-UHFFFAOYSA-N
XLogP0.27
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
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-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine (CID 19047600) is 2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine is CC1CC=C2CNCC2N1.
What is the InChIKey of 2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine?
The InChIKey is NSWYKPBOPCHODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-6-2-3-7-4-9-5-8(7)10-6/h3,6,8-10H,2,4-5H2,1H3.
What are the key properties of 2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine?
2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine has a molecular weight of 138.21 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3,5,6,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 19047600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).