methyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate

C11H14FNO3 — CID 143276796

IUPACmethyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate
SMILESC=C/C=C(\C=C)CC(NC(=O)F)C(=O)OC
InChIInChI=1S/C11H14FNO3/c1-4-6-8(5-2)7-9(10(14)16-3)13-11(12)15/h4-6,9H,1-2,7H2,3H3,(H,13,15)/b8-6+
InChIKeyZIGDDTDAWWQNNG-SOFGYWHQSA-N
MW227.23 g/mol
LogP1.90
Rot. Bonds6

About methyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate

methyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate (PubChem CID 143276796) has the molecular formula C11H14FNO3 and a molecular weight of 227.23 g/mol. Its IUPAC name is methyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate.

Molecular Properties

Compound Namemethyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate
PubChem CID143276796
Molecular FormulaC11H14FNO3
Molecular Weight227.23 g/mol
Exact Mass227.10
IUPAC Namemethyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate
SMILESC=C/C=C(\C=C)CC(NC(=O)F)C(=O)OC
InChIInChI=1S/C11H14FNO3/c1-4-6-8(5-2)7-9(10(14)16-3)13-11(12)15/h4-6,9H,1-2,7H2,3H3,(H,13,15)/b8-6+
InChIKeyZIGDDTDAWWQNNG-SOFGYWHQSA-N
XLogP1.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate?
The IUPAC name of methyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate (CID 143276796) is methyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate.
What is the SMILES notation for methyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate?
The canonical SMILES for methyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate is C=C/C=C(\C=C)CC(NC(=O)F)C(=O)OC.
What is the InChIKey of methyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate?
The InChIKey is ZIGDDTDAWWQNNG-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H14FNO3/c1-4-6-8(5-2)7-9(10(14)16-3)13-11(12)15/h4-6,9H,1-2,7H2,3H3,(H,13,15)/b8-6+.
What are the key properties of methyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate?
methyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate has a molecular weight of 227.23 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4Z)-2-(carbonofluoridoylamino)-4-ethenylhepta-4,6-dienoate is sourced from PubChem (CID 143276796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).