5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine

C11H16N2 — CID 130220546

IUPAC5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine
SMILESCCC1=C(C)NC2C(=C1)C=CN2C
InChIInChI=1S/C11H16N2/c1-4-9-7-10-5-6-13(3)11(10)12-8(9)2/h5-7,11-12H,4H2,1-3H3
InChIKeyFYRDKRUBPSGMEN-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.99
Rot. Bonds1

About 5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine

5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine (PubChem CID 130220546) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine
PubChem CID130220546
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine
SMILESCCC1=C(C)NC2C(=C1)C=CN2C
InChIInChI=1S/C11H16N2/c1-4-9-7-10-5-6-13(3)11(10)12-8(9)2/h5-7,11-12H,4H2,1-3H3
InChIKeyFYRDKRUBPSGMEN-UHFFFAOYSA-N
XLogP1.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Dihydro 1h cyclopenta[d]pyrimidine
CID 69373796
5-[2-(1,8a-Dihydroimidazo[1,2-a]pyridin-3-yl)ethenyl]-4,6-difluorocyclohexa-1,5-dien-1-amine
CID 138718952
5-Fluoro-2,7-dimethyl-1,7a-dihydropyrrolo[2,3-b]pyridine
CID 155197931
4-fluoro-5,6-dimethyl-7,7a-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 156715331
1-N-(1-fluoro-4H-inden-5-yl)-1-N',1-N'-dimethylethane-1,1-diamine
CID 174362794
Tris[2-ethyl-(2-pyridyl)]-amine
CID 129856796
2,6-Bis(1-butylimidazol-2-ylidene)pyridine
CID 129892216
4-Diethylamino-p-phenylenediamine
CID 149750270
2,3-dimethyl-4-[(2E,4E)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]-1,2-dihydroimidazole
CID 142070559
1,4,10a,10b-Tetrahydropyrimido[2,1-a]isoindole
CID 91726095
N-(2H-pyridin-1-ylmethyl)cyclopenten-1-amine;hydrochloride
CID 19049091
3-Ethyl-1,5-dihydroimidazo[1,2-a]pyridine
CID 59042355

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine (CID 130220546) is 5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine is CCC1=C(C)NC2C(=C1)C=CN2C.
What is the InChIKey of 5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is FYRDKRUBPSGMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-9-7-10-5-6-13(3)11(10)12-8(9)2/h5-7,11-12H,4H2,1-3H3.
What are the key properties of 5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine?
5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 176.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,6-dimethyl-7,7a-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 130220546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).