4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine

C8H12N2 — CID 163831133

IUPAC4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine
SMILESCC1CN=CC2NC=CC12
InChIInChI=1S/C8H12N2/c1-6-4-9-5-8-7(6)2-3-10-8/h2-3,5-8,10H,4H2,1H3
InChIKeyODSWAJMEPMQWGQ-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.81
Rot. Bonds

About 4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine

4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine (PubChem CID 163831133) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine
PubChem CID163831133
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine
SMILESCC1CN=CC2NC=CC12
InChIInChI=1S/C8H12N2/c1-6-4-9-5-8-7(6)2-3-10-8/h2-3,5-8,10H,4H2,1H3
InChIKeyODSWAJMEPMQWGQ-UHFFFAOYSA-N
XLogP0.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine (CID 163831133) is 4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine is CC1CN=CC2NC=CC12.
What is the InChIKey of 4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is ODSWAJMEPMQWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-4-9-5-8-7(6)2-3-10-8/h2-3,5-8,10H,4H2,1H3.
What are the key properties of 4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine?
4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 136.20 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 163831133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).