N-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide

C12H16N2O2 — CID 171795157

IUPACN-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(/C=C/CON)cc1
InChIInChI=1S/C12H16N2O2/c1-10(15)14-9-12-6-4-11(5-7-12)3-2-8-16-13/h2-7H,8-9,13H2,1H3,(H,14,15)/b3-2+
InChIKeyKVAMOKKKZCCEFB-NSCUHMNNSA-N
MW220.27 g/mol
LogP1.23
Rot. Bonds5

About N-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide

N-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide (PubChem CID 171795157) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide
PubChem CID171795157
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(/C=C/CON)cc1
InChIInChI=1S/C12H16N2O2/c1-10(15)14-9-12-6-4-11(5-7-12)3-2-8-16-13/h2-7H,8-9,13H2,1H3,(H,14,15)/b3-2+
InChIKeyKVAMOKKKZCCEFB-NSCUHMNNSA-N
XLogP1.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide (CID 171795157) is N-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide is CC(=O)NCc1ccc(/C=C/CON)cc1.
What is the InChIKey of N-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide?
The InChIKey is KVAMOKKKZCCEFB-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-10(15)14-9-12-6-4-11(5-7-12)3-2-8-16-13/h2-7H,8-9,13H2,1H3,(H,14,15)/b3-2+.
What are the key properties of N-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide?
N-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide has a molecular weight of 220.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(E)-3-aminooxyprop-1-enyl]phenyl]methyl]acetamide is sourced from PubChem (CID 171795157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).