2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine

C10H14N2 — CID 123268597

IUPAC2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine
SMILESCCC1=NC2C=CC(C)=NC2C1
InChIInChI=1S/C10H14N2/c1-3-8-6-10-9(12-8)5-4-7(2)11-10/h4-5,9-10H,3,6H2,1-2H3
InChIKeyGCJVOVITHOIBGO-UHFFFAOYSA-N
MW162.24 g/mol
LogP2.01
Rot. Bonds1

About 2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine

2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine (PubChem CID 123268597) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine
PubChem CID123268597
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine
SMILESCCC1=NC2C=CC(C)=NC2C1
InChIInChI=1S/C10H14N2/c1-3-8-6-10-9(12-8)5-4-7(2)11-10/h4-5,9-10H,3,6H2,1-2H3
InChIKeyGCJVOVITHOIBGO-UHFFFAOYSA-N
XLogP2.01
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-[tris(4-ethyl-2,3-dihydroazet-2-yl)methyl]-2,3-dihydroazete
CID 58890537
1,5-dimethyl-3a,7a-dihydropyrrolo[3,2-b]pyridine
CID 165379437
ethane;2,3,6-trimethyl-2,3-dihydropyridine
CID 144863717
5-methyl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine
CID 142023544
6-ethyl-4-methyl-4,5-dihydrotriazine
CID 123764758
6-ethyl-3a,7a-dihydro-1H-benzimidazole
CID 89093625
2-(fluoromethyl)-6-methyl-2,3-dihydropyridine
CID 70459540
3-ethyl-6-methyl-3H-pyridin-2-one
CID 76844676
2,5,7-trimethyl-2H-azepine
CID 142470098
2-amino-6-ethyl-4,5-dihydropyrimidin-4-ol
CID 123350880
1-(4-ethylphenyl)-5-methyl-2H-pyridin-2-ol
CID 90786576
3-ethyl-5-methyl-4H-pyrazole
CID 59050127

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine (CID 123268597) is 2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine is CCC1=NC2C=CC(C)=NC2C1.
What is the InChIKey of 2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine?
The InChIKey is GCJVOVITHOIBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-8-6-10-9(12-8)5-4-7(2)11-10/h4-5,9-10H,3,6H2,1-2H3.
What are the key properties of 2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine?
2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine has a molecular weight of 162.24 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-3a,7a-dihydro-3H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 123268597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).