(Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide

C9H11FN2O — CID 144947232

IUPAC(Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide
SMILESC=C/N=C(C)/C(F)=C(\C=C)C(N)=O
InChIInChI=1S/C9H11FN2O/c1-4-7(9(11)13)8(10)6(3)12-5-2/h4-5H,1-2H2,3H3,(H2,11,13)/b8-7-,12-6+
InChIKeyLAEKPOUXFJMQJE-HRZQEMGZSA-N
MW182.20 g/mol
LogP1.49
Rot. Bonds4

About (Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide

(Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide (PubChem CID 144947232) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is (Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide.

Molecular Properties

Compound Name(Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide
PubChem CID144947232
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name(Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide
SMILESC=C/N=C(C)/C(F)=C(\C=C)C(N)=O
InChIInChI=1S/C9H11FN2O/c1-4-7(9(11)13)8(10)6(3)12-5-2/h4-5H,1-2H2,3H3,(H2,11,13)/b8-7-,12-6+
InChIKeyLAEKPOUXFJMQJE-HRZQEMGZSA-N
XLogP1.49
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.49
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide?
The IUPAC name of (Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide (CID 144947232) is (Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide.
What is the SMILES notation for (Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide?
The canonical SMILES for (Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide is C=C/N=C(C)/C(F)=C(\C=C)C(N)=O.
What is the InChIKey of (Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide?
The InChIKey is LAEKPOUXFJMQJE-HRZQEMGZSA-N. The full InChI is InChI=1S/C9H11FN2O/c1-4-7(9(11)13)8(10)6(3)12-5-2/h4-5H,1-2H2,3H3,(H2,11,13)/b8-7-,12-6+.
What are the key properties of (Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide?
(Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide has a molecular weight of 182.20 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethenyl-4-ethenylimino-3-fluoropent-2-enamide is sourced from PubChem (CID 144947232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).