5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one

C13H11N3O — CID 57325328

IUPAC5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one
SMILESC=c1ccc2[nH]c(=O)c(=Cc3ccc[nH]3)c=2[nH]1
InChIInChI=1S/C13H11N3O/c1-8-4-5-11-12(15-8)10(13(17)16-11)7-9-3-2-6-14-9/h2-7,14-15H,1H2,(H,16,17)
InChIKeyRWHLMMOAWRDWRS-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.01
Rot. Bonds1

About 5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one

5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one (PubChem CID 57325328) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one.

Molecular Properties

Compound Name5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one
PubChem CID57325328
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one
SMILESC=c1ccc2[nH]c(=O)c(=Cc3ccc[nH]3)c=2[nH]1
InChIInChI=1S/C13H11N3O/c1-8-4-5-11-12(15-8)10(13(17)16-11)7-9-3-2-6-14-9/h2-7,14-15H,1H2,(H,16,17)
InChIKeyRWHLMMOAWRDWRS-UHFFFAOYSA-N
XLogP-0.01
TPSA64.44 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one?
The IUPAC name of 5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one (CID 57325328) is 5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one.
What is the SMILES notation for 5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one?
The canonical SMILES for 5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one is C=c1ccc2[nH]c(=O)c(=Cc3ccc[nH]3)c=2[nH]1.
What is the InChIKey of 5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one?
The InChIKey is RWHLMMOAWRDWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-8-4-5-11-12(15-8)10(13(17)16-11)7-9-3-2-6-14-9/h2-7,14-15H,1H2,(H,16,17).
What are the key properties of 5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one?
5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one has a molecular weight of 225.25 g/mol, XLogP of -0.01, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-(1H-pyrrol-2-ylmethylidene)-1,4-dihydropyrrolo[3,2-b]pyridin-2-one is sourced from PubChem (CID 57325328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).