5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

C19H15N3O3 — CID 57317859

IUPAC5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2ncc(-c3ccco3)cc2C1/C=N/c1cccc(CO)c1
InChIInChI=1S/C19H15N3O3/c23-11-12-3-1-4-14(7-12)20-10-16-15-8-13(17-5-2-6-25-17)9-21-18(15)22-19(16)24/h1-10,16,23H,11H2,(H,21,22,24)/b20-10+
InChIKeyOURJVQCPOHSRQX-KEBDBYFISA-N
MW333.35 g/mol
LogP3.27
Rot. Bonds4

About 5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one

5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (PubChem CID 57317859) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
PubChem CID57317859
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2ncc(-c3ccco3)cc2C1/C=N/c1cccc(CO)c1
InChIInChI=1S/C19H15N3O3/c23-11-12-3-1-4-14(7-12)20-10-16-15-8-13(17-5-2-6-25-17)9-21-18(15)22-19(16)24/h1-10,16,23H,11H2,(H,21,22,24)/b20-10+
InChIKeyOURJVQCPOHSRQX-KEBDBYFISA-N
XLogP3.27
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one (CID 57317859) is 5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is O=C1Nc2ncc(-c3ccco3)cc2C1/C=N/c1cccc(CO)c1.
What is the InChIKey of 5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
The InChIKey is OURJVQCPOHSRQX-KEBDBYFISA-N. The full InChI is InChI=1S/C19H15N3O3/c23-11-12-3-1-4-14(7-12)20-10-16-15-8-13(17-5-2-6-25-17)9-21-18(15)22-19(16)24/h1-10,16,23H,11H2,(H,21,22,24)/b20-10+.
What are the key properties of 5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one?
5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one has a molecular weight of 333.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[[3-(hydroxymethyl)phenyl]iminomethyl]-1,3-dihydropyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 57317859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).