1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide

C16H21FN4O2 — CID 144837932

IUPAC1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCCc1cccc(N(C)N)c1/C=C/c1cc(F)co1.NNC=O
InChIInChI=1S/C15H17FN2O.CH4N2O/c1-3-11-5-4-6-15(18(2)17)14(11)8-7-13-9-12(16)10-19-13;2-3-1-4/h4-10H,3,17H2,1-2H3;1H,2H2,(H,3,4)/b8-7+;
InChIKeyIDTLYWPWMFPEPB-USRGLUTNSA-N
MW320.37 g/mol
LogP2.07
Rot. Bonds5

About 1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide

1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide (PubChem CID 144837932) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide.

Molecular Properties

Compound Name1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide
PubChem CID144837932
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide
SMILESCCc1cccc(N(C)N)c1/C=C/c1cc(F)co1.NNC=O
InChIInChI=1S/C15H17FN2O.CH4N2O/c1-3-11-5-4-6-15(18(2)17)14(11)8-7-13-9-12(16)10-19-13;2-3-1-4/h4-10H,3,17H2,1-2H3;1H,2H2,(H,3,4)/b8-7+;
InChIKeyIDTLYWPWMFPEPB-USRGLUTNSA-N
XLogP2.07
TPSA97.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
The IUPAC name of 1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide (CID 144837932) is 1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide.
What is the SMILES notation for 1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
The canonical SMILES for 1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide is CCc1cccc(N(C)N)c1/C=C/c1cc(F)co1.NNC=O.
What is the InChIKey of 1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
The InChIKey is IDTLYWPWMFPEPB-USRGLUTNSA-N. The full InChI is InChI=1S/C15H17FN2O.CH4N2O/c1-3-11-5-4-6-15(18(2)17)14(11)8-7-13-9-12(16)10-19-13;2-3-1-4/h4-10H,3,17H2,1-2H3;1H,2H2,(H,3,4)/b8-7+;.
What are the key properties of 1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide?
1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide has a molecular weight of 320.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-[(E)-2-(4-fluorofuran-2-yl)ethenyl]phenyl]-1-methylhydrazine;formohydrazide is sourced from PubChem (CID 144837932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).