1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine

C16H14N2 — CID 53326844

IUPAC1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCN1CCc2cc(C#Cc3ccccc3)cnc21
InChIInChI=1S/C16H14N2/c1-18-10-9-15-11-14(12-17-16(15)18)8-7-13-5-3-2-4-6-13/h2-6,11-12H,9-10H2,1H3
InChIKeyRTSSGJFEKPAXIB-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.47
Rot. Bonds

About 1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine

1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine (PubChem CID 53326844) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine
PubChem CID53326844
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESCN1CCc2cc(C#Cc3ccccc3)cnc21
InChIInChI=1S/C16H14N2/c1-18-10-9-15-11-14(12-17-16(15)18)8-7-13-5-3-2-4-6-13/h2-6,11-12H,9-10H2,1H3
InChIKeyRTSSGJFEKPAXIB-UHFFFAOYSA-N
XLogP2.47
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
2-(Benzylamino)pyridine
CID 23362
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
5-[4-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-but-1-ynyl]-pyridin-2-ylamine
CID 10357631
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735
1H-Pyrrolo(2,3-b)pyridine, 2,3-dihydro-1,3,3-trimethyl-2-methylene-
CID 170513
Piperazine, 1-benzyl-4-(2-pyridyl)-
CID 116040
4-methyl-1H,2H,3H-pyrrolo(2,3-b)pyridine
CID 12398738
Benzylidene-pyridin-2-YL-amine
CID 462442
N-methyl-7-azaindole
CID 583068

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine (CID 53326844) is 1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine is CN1CCc2cc(C#Cc3ccccc3)cnc21.
What is the InChIKey of 1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is RTSSGJFEKPAXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-18-10-9-15-11-14(12-17-16(15)18)8-7-13-5-3-2-4-6-13/h2-6,11-12H,9-10H2,1H3.
What are the key properties of 1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine?
1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 234.30 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-phenylethynyl)-2,3-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 53326844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).