2-amino-N-but-3-enylacetamide

C6H12N2O — CID 23501168

IUPAC2-amino-N-but-3-enylacetamide
SMILESC=CCCNC(=O)CN
InChIInChI=1S/C6H12N2O/c1-2-3-4-8-6(9)5-7/h2H,1,3-5,7H2,(H,8,9)
InChIKeyCEDYJMCCVWSDFG-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.36
Rot. Bonds4

About 2-amino-N-but-3-enylacetamide

2-amino-N-but-3-enylacetamide (PubChem CID 23501168) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-amino-N-but-3-enylacetamide.

Molecular Properties

Compound Name2-amino-N-but-3-enylacetamide
PubChem CID23501168
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-amino-N-but-3-enylacetamide
SMILESC=CCCNC(=O)CN
InChIInChI=1S/C6H12N2O/c1-2-3-4-8-6(9)5-7/h2H,1,3-5,7H2,(H,8,9)
InChIKeyCEDYJMCCVWSDFG-UHFFFAOYSA-N
XLogP-0.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-but-3-enylacetamide?
The IUPAC name of 2-amino-N-but-3-enylacetamide (CID 23501168) is 2-amino-N-but-3-enylacetamide.
What is the SMILES notation for 2-amino-N-but-3-enylacetamide?
The canonical SMILES for 2-amino-N-but-3-enylacetamide is C=CCCNC(=O)CN.
What is the InChIKey of 2-amino-N-but-3-enylacetamide?
The InChIKey is CEDYJMCCVWSDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-3-4-8-6(9)5-7/h2H,1,3-5,7H2,(H,8,9).
What are the key properties of 2-amino-N-but-3-enylacetamide?
2-amino-N-but-3-enylacetamide has a molecular weight of 128.17 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-but-3-enylacetamide is sourced from PubChem (CID 23501168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).