2-[[(E)-but-2-enyl]amino]acetamide

C6H12N2O — CID 14517970

IUPAC2-[[(E)-but-2-enyl]amino]acetamide
SMILESC/C=C/CNCC(N)=O
InChIInChI=1S/C6H12N2O/c1-2-3-4-8-5-6(7)9/h2-3,8H,4-5H2,1H3,(H2,7,9)/b3-2+
InChIKeyDMYHOUPYVVNXAM-NSCUHMNNSA-N
MW128.17 g/mol
LogP-0.36
Rot. Bonds4

About 2-[[(E)-but-2-enyl]amino]acetamide

2-[[(E)-but-2-enyl]amino]acetamide (PubChem CID 14517970) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-[[(E)-but-2-enyl]amino]acetamide.

Molecular Properties

Compound Name2-[[(E)-but-2-enyl]amino]acetamide
PubChem CID14517970
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-[[(E)-but-2-enyl]amino]acetamide
SMILESC/C=C/CNCC(N)=O
InChIInChI=1S/C6H12N2O/c1-2-3-4-8-5-6(7)9/h2-3,8H,4-5H2,1H3,(H2,7,9)/b3-2+
InChIKeyDMYHOUPYVVNXAM-NSCUHMNNSA-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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Related Compounds

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2-amino-N-(prop-2-en-1-yl)acetamide
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N~2~-Prop-2-en-1-ylglycinamide
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Allyloxamid
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N-methyl-2-[(prop-2-en-1-yl)amino]acetamide
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CID 53959536
N-allyl-2-isocyano-acetamide
CID 55265312
But-2-enoic acid (2-amino-ethyl)-amide
CID 72616834
2-(1-Fluoroprop-2-enylamino)propanamide
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2-(3-Fluoroprop-2-enylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-but-2-enyl]amino]acetamide?
The IUPAC name of 2-[[(E)-but-2-enyl]amino]acetamide (CID 14517970) is 2-[[(E)-but-2-enyl]amino]acetamide.
What is the SMILES notation for 2-[[(E)-but-2-enyl]amino]acetamide?
The canonical SMILES for 2-[[(E)-but-2-enyl]amino]acetamide is C/C=C/CNCC(N)=O.
What is the InChIKey of 2-[[(E)-but-2-enyl]amino]acetamide?
The InChIKey is DMYHOUPYVVNXAM-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-3-4-8-5-6(7)9/h2-3,8H,4-5H2,1H3,(H2,7,9)/b3-2+.
What are the key properties of 2-[[(E)-but-2-enyl]amino]acetamide?
2-[[(E)-but-2-enyl]amino]acetamide 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-[[(E)-but-2-enyl]amino]acetamide is sourced from PubChem (CID 14517970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).