3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one

C17H12NO2P — CID 151869255

IUPAC3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1P1(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H12NO2P/c19-17-16(10-5-11-18-17)21(20)14-8-3-1-6-12(14)13-7-2-4-9-15(13)21/h1-11H,(H,18,19)
InChIKeySMILJLXTGBNNTP-UHFFFAOYSA-N
MW293.26 g/mol
LogP1.99
Rot. Bonds1

About 3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one

3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one (PubChem CID 151869255) has the molecular formula C17H12NO2P and a molecular weight of 293.26 g/mol. Its IUPAC name is 3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one
PubChem CID151869255
Molecular FormulaC17H12NO2P
Molecular Weight293.26 g/mol
Exact Mass293.06
IUPAC Name3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1P1(=O)c2ccccc2-c2ccccc21
InChIInChI=1S/C17H12NO2P/c19-17-16(10-5-11-18-17)21(20)14-8-3-1-6-12(14)13-7-2-4-9-15(13)21/h1-11H,(H,18,19)
InChIKeySMILJLXTGBNNTP-UHFFFAOYSA-N
XLogP1.99
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one?
The IUPAC name of 3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one (CID 151869255) is 3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one is O=c1[nH]cccc1P1(=O)c2ccccc2-c2ccccc21.
What is the InChIKey of 3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one?
The InChIKey is SMILJLXTGBNNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12NO2P/c19-17-16(10-5-11-18-17)21(20)14-8-3-1-6-12(14)13-7-2-4-9-15(13)21/h1-11H,(H,18,19).
What are the key properties of 3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one?
3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one has a molecular weight of 293.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxobenzo[b]phosphindol-5-yl)-1H-pyridin-2-one is sourced from PubChem (CID 151869255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).