1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine

C9H14N2 — CID 67124147

IUPAC1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine
SMILESCCN1CCCC2=C1CN=C2
InChIInChI=1S/C9H14N2/c1-2-11-5-3-4-8-6-10-7-9(8)11/h6H,2-5,7H2,1H3
InChIKeySWBFSVKSRMSPGA-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.44
Rot. Bonds1

About 1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine

1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine (PubChem CID 67124147) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine
PubChem CID67124147
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine
SMILESCCN1CCCC2=C1CN=C2
InChIInChI=1S/C9H14N2/c1-2-11-5-3-4-8-6-10-7-9(8)11/h6H,2-5,7H2,1H3
InChIKeySWBFSVKSRMSPGA-UHFFFAOYSA-N
XLogP1.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine?
The IUPAC name of 1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine (CID 67124147) is 1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine is CCN1CCCC2=C1CN=C2.
What is the InChIKey of 1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine?
The InChIKey is SWBFSVKSRMSPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-2-11-5-3-4-8-6-10-7-9(8)11/h6H,2-5,7H2,1H3.
What are the key properties of 1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine?
1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine has a molecular weight of 150.22 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3,4,7-tetrahydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 67124147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).