ethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

C11H18N2 — CID 142308844

IUPACethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC.CCc1cc2c([nH]1)=NCCC=2
InChIInChI=1S/C9H12N2.C2H6/c1-2-8-6-7-4-3-5-10-9(7)11-8;1-2/h4,6H,2-3,5H2,1H3,(H,10,11);1-2H3
InChIKeySORGGHBOUWQXHU-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.41
Rot. Bonds1

About ethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine

ethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (PubChem CID 142308844) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is ethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
PubChem CID142308844
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
SMILESCC.CCc1cc2c([nH]1)=NCCC=2
InChIInChI=1S/C9H12N2.C2H6/c1-2-8-6-7-4-3-5-10-9(7)11-8;1-2/h4,6H,2-3,5H2,1H3,(H,10,11);1-2H3
InChIKeySORGGHBOUWQXHU-UHFFFAOYSA-N
XLogP1.41
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-fluoropropan-2-yl)-2-methyl-6-methylidene-1,5-dihydropyrrolo[2,3-b]pyridin-3-amine
CID 137305119
5-fluoro-2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 142309044
4-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 155197749
6-Fluoro-1,2-dimethyl-5,6-dihydropyrrolo[2,3-b]pyridine
CID 142309011
1,2,4-trimethyl-3-tritio-6H-pyrrolo[2,3-b]pyridin-6-ide;yttrium
CID 59708866
4,6,7-trimethyl-5-tritio-2H-pyrrolo[2,3-d]pyrimidin-2-ide;yttrium
CID 59708926
2-methyl-7,7a-dihydro-3H-benzimidazole-5-carboximidamide
CID 70226335
5-Methyl-2,6-dihydropyrrolo[2,3-b]pyrrole
CID 70640497
2-tert-butyl-4-chloro-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 70821918
2-tert-butyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89000850
2-methyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine
CID 89230064
2-But-1-en-2-yl-6-propan-2-yl-1,4-dihydropyrimidine
CID 90865640

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of ethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine (CID 142308844) is ethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for ethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for ethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is CC.CCc1cc2c([nH]1)=NCCC=2.
What is the InChIKey of ethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SORGGHBOUWQXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-2-8-6-7-4-3-5-10-9(7)11-8;1-2/h4,6H,2-3,5H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine?
ethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 178.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5,6-dihydro-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 142308844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).