5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C15H10N2O — CID 15504064

IUPAC5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cc(C#Cc3ccccc3)cnc2N1
InChIInChI=1S/C15H10N2O/c18-14-9-13-8-12(10-16-15(13)17-14)7-6-11-4-2-1-3-5-11/h1-5,8,10H,9H2,(H,16,17,18)
InChIKeyMMDNLXDYOHZNDO-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.98
Rot. Bonds

About 5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 15504064) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID15504064
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Cc2cc(C#Cc3ccccc3)cnc2N1
InChIInChI=1S/C15H10N2O/c18-14-9-13-8-12(10-16-15(13)17-14)7-6-11-4-2-1-3-5-11/h1-5,8,10H,9H2,(H,16,17,18)
InChIKeyMMDNLXDYOHZNDO-UHFFFAOYSA-N
XLogP1.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.98
H-Bond Donors ≤ 51
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 5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 15504064) is 5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C1Cc2cc(C#Cc3ccccc3)cnc2N1.
What is the InChIKey of 5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is MMDNLXDYOHZNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c18-14-9-13-8-12(10-16-15(13)17-14)7-6-11-4-2-1-3-5-11/h1-5,8,10H,9H2,(H,16,17,18).
What are the key properties of 5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 234.26 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethynyl)-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 15504064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).