3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine

C12H16N2 — CID 142505490

IUPAC3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine
SMILESCCC1=C(C(C)C)N=C2N=CC=CC21
InChIInChI=1S/C12H16N2/c1-4-9-10-6-5-7-13-12(10)14-11(9)8(2)3/h5-8,10H,4H2,1-3H3
InChIKeyWFJPHBOGLJPQIV-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.98
Rot. Bonds2

About 3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine

3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine (PubChem CID 142505490) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine
PubChem CID142505490
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine
SMILESCCC1=C(C(C)C)N=C2N=CC=CC21
InChIInChI=1S/C12H16N2/c1-4-9-10-6-5-7-13-12(10)14-11(9)8(2)3/h5-8,10H,4H2,1-3H3
InChIKeyWFJPHBOGLJPQIV-UHFFFAOYSA-N
XLogP2.98
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-propan-2-yl-3aH-pyrazolo[3,4-b]pyridine
CID 58431864
4,5-Di(propan-2-yl)pyrrolo[2,3-b]pyrrole
CID 90310340
N-[(E)-2-ethylpent-2-enylidene]-N'-methylcyclohex-2-ene-1-carboximidamide
CID 118616765
8-ethyl-7-methyl-5,6-dihydro-4aH-pyrido[2,3-b]azepine
CID 139342539
3,5-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine
CID 146517779
3-methyl-3aH-pyrrolo[2,3-b]pyridine
CID 153359244
ethane;3-methyl-3aH-pyrrolo[2,3-b]pyridine
CID 153359253
3-methyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine
CID 155280674
2,3-di(propan-2-yl)-3aH-pyrrolo[2,3-b]pyridine
CID 155635626
3-hexan-3-yl-3aH-pyrrolo[2,3-b]pyridine
CID 156081436
3-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine
CID 156081450
7-ethyl-2-methyl-5-propan-2-yl-3aH-imidazo[4,5-b]pyridine
CID 172546378

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine (CID 142505490) is 3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine is CCC1=C(C(C)C)N=C2N=CC=CC21.
What is the InChIKey of 3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine?
The InChIKey is WFJPHBOGLJPQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-4-9-10-6-5-7-13-12(10)14-11(9)8(2)3/h5-8,10H,4H2,1-3H3.
What are the key properties of 3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine?
3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine has a molecular weight of 188.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-propan-2-yl-3aH-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142505490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).