N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine

C9H12FN — CID 130413066

IUPACN-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
SMILESC/C=C\C(=C\C(=C)F)\CN=C
InChIInChI=1S/C9H12FN/c1-4-5-9(7-11-3)6-8(2)10/h4-6H,2-3,7H2,1H3/b5-4-,9-6-
InChIKeyCIAMFODONWJHGU-WXOLFVLTSA-N
MW153.20 g/mol
LogP4.00
Rot. Bonds4

About N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine

N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine (PubChem CID 130413066) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine.

Molecular Properties

Compound NameN-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
PubChem CID130413066
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC NameN-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine
SMILESC/C=C\C(=C\C(=C)F)\CN=C
InChIInChI=1S/C9H12FN/c1-4-5-9(7-11-3)6-8(2)10/h4-6H,2-3,7H2,1H3/b5-4-,9-6-
InChIKeyCIAMFODONWJHGU-WXOLFVLTSA-N
XLogP4.00
TPSA12.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity202

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine?
The IUPAC name of N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine (CID 130413066) is N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine.
What is the SMILES notation for N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine?
The canonical SMILES for N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine is C/C=C\C(=C\C(=C)F)\CN=C.
What is the InChIKey of N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine?
The InChIKey is CIAMFODONWJHGU-WXOLFVLTSA-N. The full InChI is InChI=1S/C9H12FN/c1-4-5-9(7-11-3)6-8(2)10/h4-6H,2-3,7H2,1H3/b5-4-,9-6-.
What are the key properties of N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine?
N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine has a molecular weight of 153.20 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-4-fluoro-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]methanimine is sourced from PubChem (CID 130413066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).