1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine

C11H10N2 — CID 59680675

IUPAC1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine
SMILESCC#Cc1cn(C)c2ncccc12
InChIInChI=1S/C11H10N2/c1-3-5-9-8-13(2)11-10(9)6-4-7-12-11/h4,6-8H,1-2H3
InChIKeyYEPTXUPJHYRXJI-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.94
Rot. Bonds

About 1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine

1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine (PubChem CID 59680675) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine
PubChem CID59680675
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine
SMILESCC#Cc1cn(C)c2ncccc12
InChIInChI=1S/C11H10N2/c1-3-5-9-8-13(2)11-10(9)6-4-7-12-11/h4,6-8H,1-2H3
InChIKeyYEPTXUPJHYRXJI-UHFFFAOYSA-N
XLogP1.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine (CID 59680675) is 1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine is CC#Cc1cn(C)c2ncccc12.
What is the InChIKey of 1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine?
The InChIKey is YEPTXUPJHYRXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-3-5-9-8-13(2)11-10(9)6-4-7-12-11/h4,6-8H,1-2H3.
What are the key properties of 1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine?
1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine has a molecular weight of 170.21 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-prop-1-ynylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59680675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).