1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine

C14H22FN3 — CID 167204679

IUPAC1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine
SMILESC=C/C=C(F)\C=C1/CNC=C1CCN(CC)NC
InChIInChI=1S/C14H22FN3/c1-4-6-14(15)9-13-11-17-10-12(13)7-8-18(5-2)16-3/h4,6,9-10,16-17H,1,5,7-8,11H2,2-3H3/b13-9+,14-6+
InChIKeyPLHBRDBOMGBPSS-WSPXSRFVSA-N
MW251.35 g/mol
LogP2.29
Rot. Bonds7

About 1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine

1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine (PubChem CID 167204679) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine.

Molecular Properties

Compound Name1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine
PubChem CID167204679
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine
SMILESC=C/C=C(F)\C=C1/CNC=C1CCN(CC)NC
InChIInChI=1S/C14H22FN3/c1-4-6-14(15)9-13-11-17-10-12(13)7-8-18(5-2)16-3/h4,6,9-10,16-17H,1,5,7-8,11H2,2-3H3/b13-9+,14-6+
InChIKeyPLHBRDBOMGBPSS-WSPXSRFVSA-N
XLogP2.29
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine?
The IUPAC name of 1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine (CID 167204679) is 1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine.
What is the SMILES notation for 1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine?
The canonical SMILES for 1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine is C=C/C=C(F)\C=C1/CNC=C1CCN(CC)NC.
What is the InChIKey of 1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine?
The InChIKey is PLHBRDBOMGBPSS-WSPXSRFVSA-N. The full InChI is InChI=1S/C14H22FN3/c1-4-6-14(15)9-13-11-17-10-12(13)7-8-18(5-2)16-3/h4,6,9-10,16-17H,1,5,7-8,11H2,2-3H3/b13-9+,14-6+.
What are the key properties of 1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine?
1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine has a molecular weight of 251.35 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-[2-[(3Z)-3-[(2E)-2-fluoropenta-2,4-dienylidene]-1,2-dihydropyrrol-4-yl]ethyl]-2-methylhydrazine is sourced from PubChem (CID 167204679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).