3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one

C14H11N2O2P — CID 70345424

IUPAC3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2ncccc2C1=Cc1ccc(OP)cc1
InChIInChI=1S/C14H11N2O2P/c17-14-12(11-2-1-7-15-13(11)16-14)8-9-3-5-10(18-19)6-4-9/h1-8H,19H2,(H,15,16,17)
InChIKeyAVYSISHYGOLBHA-UHFFFAOYSA-N
MW270.23 g/mol
LogP2.74
Rot. Bonds2

About 3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one

3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one (PubChem CID 70345424) has the molecular formula C14H11N2O2P and a molecular weight of 270.23 g/mol. Its IUPAC name is 3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
PubChem CID70345424
Molecular FormulaC14H11N2O2P
Molecular Weight270.23 g/mol
Exact Mass270.06
IUPAC Name3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
SMILESO=C1Nc2ncccc2C1=Cc1ccc(OP)cc1
InChIInChI=1S/C14H11N2O2P/c17-14-12(11-2-1-7-15-13(11)16-14)8-9-3-5-10(18-19)6-4-9/h1-8H,19H2,(H,15,16,17)
InChIKeyAVYSISHYGOLBHA-UHFFFAOYSA-N
XLogP2.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-(quinolin-4-ylmethylidene)-1H-pyrrolo[2,3-b]pyridin-2-one
CID 54396445
2,4-dimethyl-5-[(Z)-(2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid
CID 74789579
2,4-dimethyl-5-[(2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-1H-pyrrole-3-carboxylic acid
CID 171145384
3-[(4-ethoxyphenyl)methylidene]-1H-indol-2-one
CID 2803146
(3E)-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 727515
3-[(5-hydroxy-1H-indol-3-yl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
CID 54039773
3-[4-[(Z)-(1,3-dioxoisoquinolin-4-ylidene)methyl]phenoxy]propanoic acid
CID 47046225
2-[4-[(2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]guanidine
CID 54570412
(3Z)-3-[[4-[3-(dimethylamino)propoxy]-3-methylazulen-1-yl]methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one
CID 52949935
[4-[(2-oxo-1H-pyrrolo[2,3-b]pyridin-3-ylidene)methyl]-5,6,7,8-tetrahydronaphthalen-1-yl]urea
CID 54192226
(3E)-3-(pyridin-3-ylmethylidene)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-one
CID 66779255
(3E)-3-[[4-(methoxyamino)phenyl]methylidene]-1H-indol-2-one
CID 134593398

Frequently Asked Questions

What is the IUPAC name of 3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
The IUPAC name of 3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one (CID 70345424) is 3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
The canonical SMILES for 3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one is O=C1Nc2ncccc2C1=Cc1ccc(OP)cc1.
What is the InChIKey of 3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
The InChIKey is AVYSISHYGOLBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N2O2P/c17-14-12(11-2-1-7-15-13(11)16-14)8-9-3-5-10(18-19)6-4-9/h1-8H,19H2,(H,15,16,17).
What are the key properties of 3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one?
3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one has a molecular weight of 270.23 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-phosphanyloxyphenyl)methylidene]-1H-pyrrolo[2,3-b]pyridin-2-one is sourced from PubChem (CID 70345424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).