5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one

C14H12N4O2 — CID 135966024

IUPAC5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one
SMILESC=CCn1c(/C=C2\C=Nc3ncccc32)c(O)[nH]c1=O
InChIInChI=1S/C14H12N4O2/c1-2-6-18-11(13(19)17-14(18)20)7-9-8-16-12-10(9)4-3-5-15-12/h2-5,7-8,19H,1,6H2,(H,17,20)/b9-7+
InChIKeyXLDPADLRLFGHCB-VQHVLOKHSA-N
MW268.28 g/mol
LogP1.72
Rot. Bonds3

About 5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one

5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one (PubChem CID 135966024) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one
PubChem CID135966024
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one
SMILESC=CCn1c(/C=C2\C=Nc3ncccc32)c(O)[nH]c1=O
InChIInChI=1S/C14H12N4O2/c1-2-6-18-11(13(19)17-14(18)20)7-9-8-16-12-10(9)4-3-5-15-12/h2-5,7-8,19H,1,6H2,(H,17,20)/b9-7+
InChIKeyXLDPADLRLFGHCB-VQHVLOKHSA-N
XLogP1.72
TPSA83.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one?
The IUPAC name of 5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one (CID 135966024) is 5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one.
What is the SMILES notation for 5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one?
The canonical SMILES for 5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one is C=CCn1c(/C=C2\C=Nc3ncccc32)c(O)[nH]c1=O.
What is the InChIKey of 5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one?
The InChIKey is XLDPADLRLFGHCB-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-2-6-18-11(13(19)17-14(18)20)7-9-8-16-12-10(9)4-3-5-15-12/h2-5,7-8,19H,1,6H2,(H,17,20)/b9-7+.
What are the key properties of 5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one?
5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one has a molecular weight of 268.28 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-prop-2-enyl-4-[(Z)-pyrrolo[2,3-b]pyridin-3-ylidenemethyl]-1H-imidazol-2-one is sourced from PubChem (CID 135966024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).