ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine

C11H16N2 — CID 172632266

IUPACethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine
SMILESC=C1Cc2cc(C)cnc2N1.CC
InChIInChI=1S/C9H10N2.C2H6/c1-6-3-8-4-7(2)11-9(8)10-5-6;1-2/h3,5H,2,4H2,1H3,(H,10,11);1-2H3
InChIKeySHLCVSFKKRXMHH-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.90
Rot. Bonds

About ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine

ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine (PubChem CID 172632266) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine
PubChem CID172632266
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Nameethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine
SMILESC=C1Cc2cc(C)cnc2N1.CC
InChIInChI=1S/C9H10N2.C2H6/c1-6-3-8-4-7(2)11-9(8)10-5-6;1-2/h3,5H,2,4H2,1H3,(H,10,11);1-2H3
InChIKeySHLCVSFKKRXMHH-UHFFFAOYSA-N
XLogP2.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine (CID 172632266) is ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine is C=C1Cc2cc(C)cnc2N1.CC.
What is the InChIKey of ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is SHLCVSFKKRXMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2.C2H6/c1-6-3-8-4-7(2)11-9(8)10-5-6;1-2/h3,5H,2,4H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine?
ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 176.26 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-methylidene-1,3-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 172632266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).