(Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide

C10H15FN2O4 — CID 139479096

IUPAC(Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide
SMILESCN(/C=C\C(=O)NC=O)C1CCC(F)(CO)O1
InChIInChI=1S/C10H15FN2O4/c1-13(5-3-8(16)12-7-15)9-2-4-10(11,6-14)17-9/h3,5,7,9,14H,2,4,6H2,1H3,(H,12,15,16)/b5-3-
InChIKeyHARWFPSNDJQCEA-HYXAFXHYSA-N
MW246.24 g/mol
LogP-0.50
Rot. Bonds5

About (Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide

(Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide (PubChem CID 139479096) has the molecular formula C10H15FN2O4 and a molecular weight of 246.24 g/mol. Its IUPAC name is (Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide
PubChem CID139479096
Molecular FormulaC10H15FN2O4
Molecular Weight246.24 g/mol
Exact Mass246.10
IUPAC Name(Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide
SMILESCN(/C=C\C(=O)NC=O)C1CCC(F)(CO)O1
InChIInChI=1S/C10H15FN2O4/c1-13(5-3-8(16)12-7-15)9-2-4-10(11,6-14)17-9/h3,5,7,9,14H,2,4,6H2,1H3,(H,12,15,16)/b5-3-
InChIKeyHARWFPSNDJQCEA-HYXAFXHYSA-N
XLogP-0.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide?
The IUPAC name of (Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide (CID 139479096) is (Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide.
What is the SMILES notation for (Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide?
The canonical SMILES for (Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide is CN(/C=C\C(=O)NC=O)C1CCC(F)(CO)O1.
What is the InChIKey of (Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide?
The InChIKey is HARWFPSNDJQCEA-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H15FN2O4/c1-13(5-3-8(16)12-7-15)9-2-4-10(11,6-14)17-9/h3,5,7,9,14H,2,4,6H2,1H3,(H,12,15,16)/b5-3-.
What are the key properties of (Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide?
(Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide has a molecular weight of 246.24 g/mol, XLogP of -0.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[[5-fluoro-5-(hydroxymethyl)oxolan-2-yl]-methylamino]-N-formylprop-2-enamide is sourced from PubChem (CID 139479096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).