N'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide

C9H13FN2 — CID 143612570

IUPACN'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide
SMILESC=C/N=C(\C)NC(=C)/C(F)=C\C
InChIInChI=1S/C9H13FN2/c1-5-9(10)7(3)12-8(4)11-6-2/h5-6H,2-3H2,1,4H3,(H,11,12)/b9-5+
InChIKeyLOIJVVZVFDLDRV-WEVVVXLNSA-N
MW168.21 g/mol
LogP2.52
Rot. Bonds3

About N'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide

N'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide (PubChem CID 143612570) has the molecular formula C9H13FN2 and a molecular weight of 168.21 g/mol. Its IUPAC name is N'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide
PubChem CID143612570
Molecular FormulaC9H13FN2
Molecular Weight168.21 g/mol
Exact Mass168.11
IUPAC NameN'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide
SMILESC=C/N=C(\C)NC(=C)/C(F)=C\C
InChIInChI=1S/C9H13FN2/c1-5-9(10)7(3)12-8(4)11-6-2/h5-6H,2-3H2,1,4H3,(H,11,12)/b9-5+
InChIKeyLOIJVVZVFDLDRV-WEVVVXLNSA-N
XLogP2.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.21
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide?
The IUPAC name of N'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide (CID 143612570) is N'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide.
What is the SMILES notation for N'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide?
The canonical SMILES for N'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide is C=C/N=C(\C)NC(=C)/C(F)=C\C.
What is the InChIKey of N'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide?
The InChIKey is LOIJVVZVFDLDRV-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H13FN2/c1-5-9(10)7(3)12-8(4)11-6-2/h5-6H,2-3H2,1,4H3,(H,11,12)/b9-5+.
What are the key properties of N'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide?
N'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide has a molecular weight of 168.21 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-[(3E)-3-fluoropenta-1,3-dien-2-yl]ethanimidamide is sourced from PubChem (CID 143612570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).