(2E,4E)-hexa-2,4-dienamide;phosphane

C6H12NOP — CID 175915492

IUPAC(2E,4E)-hexa-2,4-dienamide;phosphane
SMILESC/C=C/C=C/C(N)=O.P
InChIInChI=1S/C6H9NO.H3P/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H2,7,8);1H3/b3-2+,5-4+;
InChIKeyCMQNCPAQISLEOA-STWYSWDKSA-N
MW145.14 g/mol
LogP0.66
Rot. Bonds2

About (2E,4E)-hexa-2,4-dienamide;phosphane

(2E,4E)-hexa-2,4-dienamide;phosphane (PubChem CID 175915492) has the molecular formula C6H12NOP and a molecular weight of 145.14 g/mol. Its IUPAC name is (2E,4E)-hexa-2,4-dienamide;phosphane.

Molecular Properties

Compound Name(2E,4E)-hexa-2,4-dienamide;phosphane
PubChem CID175915492
Molecular FormulaC6H12NOP
Molecular Weight145.14 g/mol
Exact Mass145.07
IUPAC Name(2E,4E)-hexa-2,4-dienamide;phosphane
SMILESC/C=C/C=C/C(N)=O.P
InChIInChI=1S/C6H9NO.H3P/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H2,7,8);1H3/b3-2+,5-4+;
InChIKeyCMQNCPAQISLEOA-STWYSWDKSA-N
XLogP0.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.14
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-hexa-2,4-dienamide;phosphane?
The IUPAC name of (2E,4E)-hexa-2,4-dienamide;phosphane (CID 175915492) is (2E,4E)-hexa-2,4-dienamide;phosphane.
What is the SMILES notation for (2E,4E)-hexa-2,4-dienamide;phosphane?
The canonical SMILES for (2E,4E)-hexa-2,4-dienamide;phosphane is C/C=C/C=C/C(N)=O.P.
What is the InChIKey of (2E,4E)-hexa-2,4-dienamide;phosphane?
The InChIKey is CMQNCPAQISLEOA-STWYSWDKSA-N. The full InChI is InChI=1S/C6H9NO.H3P/c1-2-3-4-5-6(7)8;/h2-5H,1H3,(H2,7,8);1H3/b3-2+,5-4+;.
What are the key properties of (2E,4E)-hexa-2,4-dienamide;phosphane?
(2E,4E)-hexa-2,4-dienamide;phosphane has a molecular weight of 145.14 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-hexa-2,4-dienamide;phosphane is sourced from PubChem (CID 175915492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).