ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine

C13H20N2 — CID 172576281

IUPACethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCC.Cc1ccnc2c1ccn2C(C)C
InChIInChI=1S/C11H14N2.C2H6/c1-8(2)13-7-5-10-9(3)4-6-12-11(10)13;1-2/h4-8H,1-3H3;1-2H3
InChIKeyBNOXDMYARUEUSN-UHFFFAOYSA-N
MW204.32 g/mol
LogP3.95
Rot. Bonds1

About ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine

ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine (PubChem CID 172576281) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine
PubChem CID172576281
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Nameethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine
SMILESCC.Cc1ccnc2c1ccn2C(C)C
InChIInChI=1S/C11H14N2.C2H6/c1-8(2)13-7-5-10-9(3)4-6-12-11(10)13;1-2/h4-8H,1-3H3;1-2H3
InChIKeyBNOXDMYARUEUSN-UHFFFAOYSA-N
XLogP3.95
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 ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpyrrolo[2,3-b]pyridin-1-yl)-tri(propan-2-yl)-λ4-sulfane
CID 167021546
N-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 142359850
2,3-dimethyl-1-propan-2-ylpyrrole
CID 59338872
ethane;8-methylimidazo[1,2-b]pyridazine
CID 163275224
7-propan-2-ylpyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 58811327
ethane;1-ethyl-4-methylpyrazolo[3,4-b]pyridine
CID 162761081
3-iodo-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine
CID 90347962
7-methyl-3-propan-2-yl-1H-imidazo[4,5-b]pyridine-2-thione
CID 79288995
3-fluoro-1-propan-2-ylpyrrolo[2,3-b]pyridin-4-amine
CID 90347961
2-phenyl-1-propan-2-ylimidazole
CID 12997870
N-[(4-methyl-3-pyridinyl)methyl]-1-propan-2-ylimidazol-2-amine
CID 106583378
ethane;1,3,4-trimethylpyrrolo[2,3-b]pyridine
CID 145487043

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine (CID 172576281) is ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine is CC.Cc1ccnc2c1ccn2C(C)C.
What is the InChIKey of ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine?
The InChIKey is BNOXDMYARUEUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.C2H6/c1-8(2)13-7-5-10-9(3)4-6-12-11(10)13;1-2/h4-8H,1-3H3;1-2H3.
What are the key properties of ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine?
ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine has a molecular weight of 204.32 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 172576281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).