2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide

C7H13F2N3O — CID 88746935

IUPAC2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide
SMILESNCC(=O)NC/C=C/C(N)C(F)F
InChIInChI=1S/C7H13F2N3O/c8-7(9)5(11)2-1-3-12-6(13)4-10/h1-2,5,7H,3-4,10-11H2,(H,12,13)/b2-1+
InChIKeyKVPPOMVFOUVMPU-OWOJBTEDSA-N
MW193.20 g/mol
LogP-0.79
Rot. Bonds5

About 2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide

2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide (PubChem CID 88746935) has the molecular formula C7H13F2N3O and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide
PubChem CID88746935
Molecular FormulaC7H13F2N3O
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC Name2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide
SMILESNCC(=O)NC/C=C/C(N)C(F)F
InChIInChI=1S/C7H13F2N3O/c8-7(9)5(11)2-1-3-12-6(13)4-10/h1-2,5,7H,3-4,10-11H2,(H,12,13)/b2-1+
InChIKeyKVPPOMVFOUVMPU-OWOJBTEDSA-N
XLogP-0.79
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide?
The IUPAC name of 2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide (CID 88746935) is 2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide.
What is the SMILES notation for 2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide?
The canonical SMILES for 2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide is NCC(=O)NC/C=C/C(N)C(F)F.
What is the InChIKey of 2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide?
The InChIKey is KVPPOMVFOUVMPU-OWOJBTEDSA-N. The full InChI is InChI=1S/C7H13F2N3O/c8-7(9)5(11)2-1-3-12-6(13)4-10/h1-2,5,7H,3-4,10-11H2,(H,12,13)/b2-1+.
What are the key properties of 2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide?
2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide has a molecular weight of 193.20 g/mol, XLogP of -0.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-4-amino-5,5-difluoropent-2-enyl]acetamide is sourced from PubChem (CID 88746935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).