ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine

C13H20N2 — CID 177241545

IUPACethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine
SMILESCC.CC(C)c1cn(C)c2cccnc12
InChIInChI=1S/C11H14N2.C2H6/c1-8(2)9-7-13(3)10-5-4-6-12-11(9)10;1-2/h4-8H,1-3H3;1-2H3
InChIKeyXPERGZZYIUEPIZ-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.72
Rot. Bonds1

About ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine

ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine (PubChem CID 177241545) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Nameethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine
PubChem CID177241545
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Nameethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine
SMILESCC.CC(C)c1cn(C)c2cccnc12
InChIInChI=1S/C11H14N2.C2H6/c1-8(2)9-7-13(3)10-5-4-6-12-11(9)10;1-2/h4-8H,1-3H3;1-2H3
InChIKeyXPERGZZYIUEPIZ-UHFFFAOYSA-N
XLogP3.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-3-propan-2-ylindole
CID 10942942
8-ethyl-5-propan-2-yl-1,7-naphthyridine
CID 91121242
ethane;2-methyl-3-propan-2-ylpyridine
CID 142858508
bis(1,4-di(propan-2-yl)isoquinoline);tris(1,4-di(propan-2-yl)naphthalene);bis(5,8-di(propan-2-yl)quinoline)
CID 161240222
ethane;2-methyl-3-propan-2-ylpyridine;vanadium
CID 143650392
1-(1-methylpyrrolo[3,2-b]pyridin-3-yl)piperidin-4-amine
CID 143949740
5-ethyl-8-propan-2-yl-1,6-naphthyridine
CID 163259705
ethane;3-methyl-2-propan-2-ylpyridine;bis(4-methyl-3-propan-2-ylpyridine)
CID 167681934
7-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-1,4-diazepan-5-one
CID 82664649
1-methyl-3-propan-2-yl-5-(2H-tetrazol-5-yl)pyrrolo[3,2-b]pyridine
CID 162214030
ethyl 2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-2-oxoacetate
CID 121003422
N-[2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)ethyl]acetamide
CID 141008182

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine (CID 177241545) is ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine is CC.CC(C)c1cn(C)c2cccnc12.
What is the InChIKey of ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine?
The InChIKey is XPERGZZYIUEPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C2H6/c1-8(2)9-7-13(3)10-5-4-6-12-11(9)10;1-2/h4-8H,1-3H3;1-2H3.
What are the key properties of ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine?
ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine has a molecular weight of 204.32 g/mol, XLogP of 3.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-3-propan-2-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 177241545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).