(Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol

C15H19FN2O — CID 138535217

IUPAC(Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol
SMILESC=N/C(=C\C(=C(/C)N)C(C)(C)O)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-10(17)13(15(2,3)19)9-14(18-4)11-5-7-12(16)8-6-11/h5-9,19H,4,17H2,1-3H3/b13-10-,14-9-
InChIKeySENHMUQQXXBRGZ-DVICISQYSA-N
MW262.33 g/mol
LogP2.87
Rot. Bonds4

About (Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol

(Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol (PubChem CID 138535217) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is (Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol.

Molecular Properties

Compound Name(Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol
PubChem CID138535217
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name(Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol
SMILESC=N/C(=C\C(=C(/C)N)C(C)(C)O)c1ccc(F)cc1
InChIInChI=1S/C15H19FN2O/c1-10(17)13(15(2,3)19)9-14(18-4)11-5-7-12(16)8-6-11/h5-9,19H,4,17H2,1-3H3/b13-10-,14-9-
InChIKeySENHMUQQXXBRGZ-DVICISQYSA-N
XLogP2.87
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol?
The IUPAC name of (Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol (CID 138535217) is (Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol.
What is the SMILES notation for (Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol?
The canonical SMILES for (Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol is C=N/C(=C\C(=C(/C)N)C(C)(C)O)c1ccc(F)cc1.
What is the InChIKey of (Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol?
The InChIKey is SENHMUQQXXBRGZ-DVICISQYSA-N. The full InChI is InChI=1S/C15H19FN2O/c1-10(17)13(15(2,3)19)9-14(18-4)11-5-7-12(16)8-6-11/h5-9,19H,4,17H2,1-3H3/b13-10-,14-9-.
What are the key properties of (Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol?
(Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol has a molecular weight of 262.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-3-[(Z)-2-(4-fluorophenyl)-2-(methylideneamino)ethenyl]-2-methylpent-3-en-2-ol is sourced from PubChem (CID 138535217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).