(2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid

C11H12FN3O2 — CID 153336898

IUPAC(2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid
SMILESNNC(/C=C/c1ccccc1F)=C(\N)C(=O)O
InChIInChI=1S/C11H12FN3O2/c12-8-4-2-1-3-7(8)5-6-9(15-14)10(13)11(16)17/h1-6,15H,13-14H2,(H,16,17)/b6-5+,10-9-
InChIKeyZIIKGUBTSHRIHB-QMRMAQATSA-N
MW237.23 g/mol
LogP0.56
Rot. Bonds4

About (2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid

(2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid (PubChem CID 153336898) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is (2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid
PubChem CID153336898
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name(2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid
SMILESNNC(/C=C/c1ccccc1F)=C(\N)C(=O)O
InChIInChI=1S/C11H12FN3O2/c12-8-4-2-1-3-7(8)5-6-9(15-14)10(13)11(16)17/h1-6,15H,13-14H2,(H,16,17)/b6-5+,10-9-
InChIKeyZIIKGUBTSHRIHB-QMRMAQATSA-N
XLogP0.56
TPSA101.37 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(2-fluorophenyl)prop-2-enehydrazide
CID 43236608
4-(2-fluorophenyl)-1-phenylbut-3-ene-1,2-dione
CID 71861127
(E)-N-(2-amino-2-oxoethoxy)-3-(2-fluorophenyl)prop-2-enamide
CID 112674420
(E)-1,3-bis(2-fluorophenyl)prop-2-en-1-one
CID 139410586
benzyl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 140721856
3-(2-fluorophenyl)-N,N-dimethylprop-2-enamide
CID 76872152
(2R)-2-[3-(2-fluorophenyl)prop-2-enoylamino]propanoic acid
CID 78972924
(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564972
(2R)-5-amino-2-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]-5-oxopentanoic acid
CID 107829734
(2-anilino-2-oxoethyl) (E)-3-(2-fluorophenyl)prop-2-enoate
CID 2613261
8-[[(E)-3-(2-fluorophenyl)prop-2-enoyl]amino]octanamide
CID 89351391
(E)-3-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]prop-2-enamide
CID 9315117

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid (CID 153336898) is (2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid is NNC(/C=C/c1ccccc1F)=C(\N)C(=O)O.
What is the InChIKey of (2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid?
The InChIKey is ZIIKGUBTSHRIHB-QMRMAQATSA-N. The full InChI is InChI=1S/C11H12FN3O2/c12-8-4-2-1-3-7(8)5-6-9(15-14)10(13)11(16)17/h1-6,15H,13-14H2,(H,16,17)/b6-5+,10-9-.
What are the key properties of (2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid?
(2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid has a molecular weight of 237.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-amino-5-(2-fluorophenyl)-3-hydrazinylpenta-2,4-dienoic acid is sourced from PubChem (CID 153336898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).