(E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile

C7H9FN2 — CID 134408808

IUPAC(E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile
SMILESC/C(F)=C(C#N)\C=C(/C)N
InChIInChI=1S/C7H9FN2/c1-5(10)3-7(4-9)6(2)8/h3H,10H2,1-2H3/b5-3+,7-6-
InChIKeyPXASIKBRIHDHFA-WZWXSLMZSA-N
MW140.16 g/mol
LogP1.62
Rot. Bonds1

About (E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile

(E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile (PubChem CID 134408808) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is (E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile.

Molecular Properties

Compound Name(E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile
PubChem CID134408808
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name(E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile
SMILESC/C(F)=C(C#N)\C=C(/C)N
InChIInChI=1S/C7H9FN2/c1-5(10)3-7(4-9)6(2)8/h3H,10H2,1-2H3/b5-3+,7-6-
InChIKeyPXASIKBRIHDHFA-WZWXSLMZSA-N
XLogP1.62
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile?
The IUPAC name of (E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile (CID 134408808) is (E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile.
What is the SMILES notation for (E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile?
The canonical SMILES for (E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile is C/C(F)=C(C#N)\C=C(/C)N.
What is the InChIKey of (E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile?
The InChIKey is PXASIKBRIHDHFA-WZWXSLMZSA-N. The full InChI is InChI=1S/C7H9FN2/c1-5(10)3-7(4-9)6(2)8/h3H,10H2,1-2H3/b5-3+,7-6-.
What are the key properties of (E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile?
(E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile has a molecular weight of 140.16 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2Z)-4-amino-2-(1-fluoroethylidene)pent-3-enenitrile is sourced from PubChem (CID 134408808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).