(2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide

C7H9FN2O — CID 123637841

IUPAC(2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide
SMILES[H]/N=C(C)/C(=C\C(=C)F)C(N)=O
InChIInChI=1S/C7H9FN2O/c1-4(8)3-6(5(2)9)7(10)11/h3,9H,1H2,2H3,(H2,10,11)/b6-3+,9-5+
InChIKeyPONNWNMCRTVWJE-DBKVWBBNSA-N
MW156.16 g/mol
LogP0.92
Rot. Bonds3

About (2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide

(2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide (PubChem CID 123637841) has the molecular formula C7H9FN2O and a molecular weight of 156.16 g/mol. Its IUPAC name is (2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide
PubChem CID123637841
Molecular FormulaC7H9FN2O
Molecular Weight156.16 g/mol
Exact Mass156.07
IUPAC Name(2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide
SMILES[H]/N=C(C)/C(=C\C(=C)F)C(N)=O
InChIInChI=1S/C7H9FN2O/c1-4(8)3-6(5(2)9)7(10)11/h3,9H,1H2,2H3,(H2,10,11)/b6-3+,9-5+
InChIKeyPONNWNMCRTVWJE-DBKVWBBNSA-N
XLogP0.92
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.16
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(Fluoromethyl)-5-iminohex-2-enamide
CID 123968663
(E)-4-imino-2-(trifluoromethyl)hex-2-enamide
CID 171493586
(Z,2E)-2-ethylidene-5-iminohex-3-enamide
CID 87419522
(Z,2E)-2-ethylidene-3-iminohex-4-enamide
CID 90756731
(2E)-2-ethylidene-3-iminopent-4-enamide
CID 123362408
(E)-2-ethanimidoylpent-2-enamide
CID 123461047
(2E)-4-cyano-2-ethanimidoylpenta-2,4-dienamide
CID 123649043

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide?
The IUPAC name of (2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide (CID 123637841) is (2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide.
What is the SMILES notation for (2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide?
The canonical SMILES for (2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide is [H]/N=C(C)/C(=C\C(=C)F)C(N)=O.
What is the InChIKey of (2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide?
The InChIKey is PONNWNMCRTVWJE-DBKVWBBNSA-N. The full InChI is InChI=1S/C7H9FN2O/c1-4(8)3-6(5(2)9)7(10)11/h3,9H,1H2,2H3,(H2,10,11)/b6-3+,9-5+.
What are the key properties of (2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide?
(2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide has a molecular weight of 156.16 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethanimidoyl-4-fluoropenta-2,4-dienamide is sourced from PubChem (CID 123637841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).