(E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one

C10H20NO3P — CID 13207032

IUPAC(E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one
SMILESCCN(CC)P(OC)O/C(C)=C/C(C)=O
InChIInChI=1S/C10H20NO3P/c1-6-11(7-2)15(13-5)14-10(4)8-9(3)12/h8H,6-7H2,1-5H3/b10-8+
InChIKeyCLITWNUBTSDRIN-CSKARUKUSA-N
MW233.25 g/mol
LogP2.71
Rot. Bonds7

About (E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one

(E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one (PubChem CID 13207032) has the molecular formula C10H20NO3P and a molecular weight of 233.25 g/mol. Its IUPAC name is (E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one
PubChem CID13207032
Molecular FormulaC10H20NO3P
Molecular Weight233.25 g/mol
Exact Mass233.12
IUPAC Name(E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one
SMILESCCN(CC)P(OC)O/C(C)=C/C(C)=O
InChIInChI=1S/C10H20NO3P/c1-6-11(7-2)15(13-5)14-10(4)8-9(3)12/h8H,6-7H2,1-5H3/b10-8+
InChIKeyCLITWNUBTSDRIN-CSKARUKUSA-N
XLogP2.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 (E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one?
The IUPAC name of (E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one (CID 13207032) is (E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one.
What is the SMILES notation for (E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one?
The canonical SMILES for (E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one is CCN(CC)P(OC)O/C(C)=C/C(C)=O.
What is the InChIKey of (E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one?
The InChIKey is CLITWNUBTSDRIN-CSKARUKUSA-N. The full InChI is InChI=1S/C10H20NO3P/c1-6-11(7-2)15(13-5)14-10(4)8-9(3)12/h8H,6-7H2,1-5H3/b10-8+.
What are the key properties of (E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one?
(E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one has a molecular weight of 233.25 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[diethylamino(methoxy)phosphanyl]oxypent-3-en-2-one is sourced from PubChem (CID 13207032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).