(2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide

C14H17NO3P- — CID 164681904

IUPAC(2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide
SMILESCCOP(=O)(OCC)C1=CC=C/C1=C1/C=CC=C[N-]1
InChIInChI=1S/C14H17NO3P/c1-3-17-19(16,18-4-2)14-10-7-8-12(14)13-9-5-6-11-15-13/h5-11H,3-4H2,1-2H3/q-1/b13-12+
InChIKeyBFRCHKLZZHTQSH-OUKQBFOZSA-N
MW278.27 g/mol
LogP4.42
Rot. Bonds5

About (2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide

(2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide (PubChem CID 164681904) has the molecular formula C14H17NO3P- and a molecular weight of 278.27 g/mol. Its IUPAC name is (2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide.

Molecular Properties

Compound Name(2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide
PubChem CID164681904
Molecular FormulaC14H17NO3P-
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name(2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide
SMILESCCOP(=O)(OCC)C1=CC=C/C1=C1/C=CC=C[N-]1
InChIInChI=1S/C14H17NO3P/c1-3-17-19(16,18-4-2)14-10-7-8-12(14)13-9-5-6-11-15-13/h5-11H,3-4H2,1-2H3/q-1/b13-12+
InChIKeyBFRCHKLZZHTQSH-OUKQBFOZSA-N
XLogP4.42
TPSA49.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide?
The IUPAC name of (2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide (CID 164681904) is (2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide.
What is the SMILES notation for (2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide?
The canonical SMILES for (2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide is CCOP(=O)(OCC)C1=CC=C/C1=C1/C=CC=C[N-]1.
What is the InChIKey of (2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide?
The InChIKey is BFRCHKLZZHTQSH-OUKQBFOZSA-N. The full InChI is InChI=1S/C14H17NO3P/c1-3-17-19(16,18-4-2)14-10-7-8-12(14)13-9-5-6-11-15-13/h5-11H,3-4H2,1-2H3/q-1/b13-12+.
What are the key properties of (2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide?
(2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide has a molecular weight of 278.27 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(2-diethoxyphosphorylcyclopenta-2,4-dien-1-ylidene)pyridin-1-ide is sourced from PubChem (CID 164681904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).