(E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide

C12H15N2O3P — CID 6507160

IUPAC(E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide
SMILESCCOP(=O)(CC)O/N=C(/C#N)c1ccccc1
InChIInChI=1S/C12H15N2O3P/c1-3-16-18(15,4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12-
InChIKeyFQRWFQURESEDEY-OWBHPGMISA-N
MW266.24 g/mol
LogP3.18
Rot. Bonds6

About (E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide

(E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide (PubChem CID 6507160) has the molecular formula C12H15N2O3P and a molecular weight of 266.24 g/mol. Its IUPAC name is (E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide.

Molecular Properties

Compound Name(E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide
PubChem CID6507160
Molecular FormulaC12H15N2O3P
Molecular Weight266.24 g/mol
Exact Mass266.08
IUPAC Name(E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide
SMILESCCOP(=O)(CC)O/N=C(/C#N)c1ccccc1
InChIInChI=1S/C12H15N2O3P/c1-3-16-18(15,4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12-
InChIKeyFQRWFQURESEDEY-OWBHPGMISA-N
XLogP3.18
TPSA71.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide?
The IUPAC name of (E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide (CID 6507160) is (E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide.
What is the SMILES notation for (E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide?
The canonical SMILES for (E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide is CCOP(=O)(CC)O/N=C(/C#N)c1ccccc1.
What is the InChIKey of (E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide?
The InChIKey is FQRWFQURESEDEY-OWBHPGMISA-N. The full InChI is InChI=1S/C12H15N2O3P/c1-3-16-18(15,4-2)17-14-12(10-13)11-8-6-5-7-9-11/h5-9H,3-4H2,1-2H3/b14-12-.
What are the key properties of (E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide?
(E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide has a molecular weight of 266.24 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[ethoxy(ethyl)phosphoryl]oxybenzenecarboximidoyl cyanide is sourced from PubChem (CID 6507160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).