(Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine

C20H25FN4O — CID 143813376

IUPAC(Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine
SMILESNN/C(COC1CCN(Cc2ccccc2)C1)=C(\N)c1ccccc1F
InChIInChI=1S/C20H25FN4O/c21-18-9-5-4-8-17(18)20(22)19(24-23)14-26-16-10-11-25(13-16)12-15-6-2-1-3-7-15/h1-9,16,24H,10-14,22-23H2/b20-19-
InChIKeyUJFLAIBXGWRNGA-VXPUYCOJSA-N
MW356.45 g/mol
LogP2.21
Rot. Bonds7

About (Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine

(Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine (PubChem CID 143813376) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is (Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine
PubChem CID143813376
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name(Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine
SMILESNN/C(COC1CCN(Cc2ccccc2)C1)=C(\N)c1ccccc1F
InChIInChI=1S/C20H25FN4O/c21-18-9-5-4-8-17(18)20(22)19(24-23)14-26-16-10-11-25(13-16)12-15-6-2-1-3-7-15/h1-9,16,24H,10-14,22-23H2/b20-19-
InChIKeyUJFLAIBXGWRNGA-VXPUYCOJSA-N
XLogP2.21
TPSA76.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine?
The IUPAC name of (Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine (CID 143813376) is (Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine.
What is the SMILES notation for (Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine?
The canonical SMILES for (Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine is NN/C(COC1CCN(Cc2ccccc2)C1)=C(\N)c1ccccc1F.
What is the InChIKey of (Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine?
The InChIKey is UJFLAIBXGWRNGA-VXPUYCOJSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-18-9-5-4-8-17(18)20(22)19(24-23)14-26-16-10-11-25(13-16)12-15-6-2-1-3-7-15/h1-9,16,24H,10-14,22-23H2/b20-19-.
What are the key properties of (Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine?
(Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine has a molecular weight of 356.45 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1-benzylpyrrolidin-3-yl)oxy-1-(2-fluorophenyl)-2-hydrazinylprop-1-en-1-amine is sourced from PubChem (CID 143813376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).