5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one

C29H24NO2P — CID 178016062

IUPAC5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one
SMILESC=C1CCc2[nH]c(=O)c(C(=O)C=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C29H24NO2P/c1-21-17-18-27-25(21)19-26(29(32)30-27)28(31)20-33(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,19-20H,1,17-18H2,(H,30,32)
InChIKeyLSKQETVTLZOAOT-UHFFFAOYSA-N
MW449.49 g/mol
LogP4.31
Rot. Bonds5

About 5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one

5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one (PubChem CID 178016062) has the molecular formula C29H24NO2P and a molecular weight of 449.49 g/mol. Its IUPAC name is 5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one.

Molecular Properties

Compound Name5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one
PubChem CID178016062
Molecular FormulaC29H24NO2P
Molecular Weight449.49 g/mol
Exact Mass449.15
IUPAC Name5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one
SMILESC=C1CCc2[nH]c(=O)c(C(=O)C=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc21
InChIInChI=1S/C29H24NO2P/c1-21-17-18-27-25(21)19-26(29(32)30-27)28(31)20-33(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,19-20H,1,17-18H2,(H,30,32)
InChIKeyLSKQETVTLZOAOT-UHFFFAOYSA-N
XLogP4.31
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 54.31
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 5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one?
The IUPAC name of 5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one (CID 178016062) is 5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one.
What is the SMILES notation for 5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one?
The canonical SMILES for 5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one is C=C1CCc2[nH]c(=O)c(C(=O)C=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc21.
What is the InChIKey of 5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one?
The InChIKey is LSKQETVTLZOAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24NO2P/c1-21-17-18-27-25(21)19-26(29(32)30-27)28(31)20-33(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-16,19-20H,1,17-18H2,(H,30,32).
What are the key properties of 5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one?
5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one has a molecular weight of 449.49 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-[2-(triphenyl-λ5-phosphanylidene)acetyl]-6,7-dihydro-1H-cyclopenta[b]pyridin-2-one is sourced from PubChem (CID 178016062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).