(2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one

C11H20NO4P — CID 11242436

IUPAC(2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one
SMILESCCOP(=O)(N/C=C1\CCCCC1=O)OCC
InChIInChI=1S/C11H20NO4P/c1-3-15-17(14,16-4-2)12-9-10-7-5-6-8-11(10)13/h9H,3-8H2,1-2H3,(H,12,14)/b10-9+
InChIKeyWYVHXZFKSDTMIH-MDZDMXLPSA-N
MW261.26 g/mol
LogP2.78
Rot. Bonds6

About (2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one

(2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one (PubChem CID 11242436) has the molecular formula C11H20NO4P and a molecular weight of 261.26 g/mol. Its IUPAC name is (2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one.

Molecular Properties

Compound Name(2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one
PubChem CID11242436
Molecular FormulaC11H20NO4P
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name(2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one
SMILESCCOP(=O)(N/C=C1\CCCCC1=O)OCC
InChIInChI=1S/C11H20NO4P/c1-3-15-17(14,16-4-2)12-9-10-7-5-6-8-11(10)13/h9H,3-8H2,1-2H3,(H,12,14)/b10-9+
InChIKeyWYVHXZFKSDTMIH-MDZDMXLPSA-N
XLogP2.78
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one?
The IUPAC name of (2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one (CID 11242436) is (2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one.
What is the SMILES notation for (2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one?
The canonical SMILES for (2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one is CCOP(=O)(N/C=C1\CCCCC1=O)OCC.
What is the InChIKey of (2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one?
The InChIKey is WYVHXZFKSDTMIH-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H20NO4P/c1-3-15-17(14,16-4-2)12-9-10-7-5-6-8-11(10)13/h9H,3-8H2,1-2H3,(H,12,14)/b10-9+.
What are the key properties of (2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one?
(2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one has a molecular weight of 261.26 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(diethoxyphosphorylamino)methylidene]cyclohexan-1-one is sourced from PubChem (CID 11242436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).