N-[(E)-3-aminoprop-2-enyl]acetamide

C5H10N2O — CID 88796899

IUPACN-[(E)-3-aminoprop-2-enyl]acetamide
SMILESCC(=O)NC/C=C/N
InChIInChI=1S/C5H10N2O/c1-5(8)7-4-2-3-6/h2-3H,4,6H2,1H3,(H,7,8)/b3-2+
InChIKeyIQRJHMBWRUTGBN-NSCUHMNNSA-N
MW114.15 g/mol
LogP-0.41
Rot. Bonds2

About N-[(E)-3-aminoprop-2-enyl]acetamide

N-[(E)-3-aminoprop-2-enyl]acetamide (PubChem CID 88796899) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-[(E)-3-aminoprop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-3-aminoprop-2-enyl]acetamide
PubChem CID88796899
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-[(E)-3-aminoprop-2-enyl]acetamide
SMILESCC(=O)NC/C=C/N
InChIInChI=1S/C5H10N2O/c1-5(8)7-4-2-3-6/h2-3H,4,6H2,1H3,(H,7,8)/b3-2+
InChIKeyIQRJHMBWRUTGBN-NSCUHMNNSA-N
XLogP-0.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-aminoprop-2-enyl]acetamide?
The IUPAC name of N-[(E)-3-aminoprop-2-enyl]acetamide (CID 88796899) is N-[(E)-3-aminoprop-2-enyl]acetamide.
What is the SMILES notation for N-[(E)-3-aminoprop-2-enyl]acetamide?
The canonical SMILES for N-[(E)-3-aminoprop-2-enyl]acetamide is CC(=O)NC/C=C/N.
What is the InChIKey of N-[(E)-3-aminoprop-2-enyl]acetamide?
The InChIKey is IQRJHMBWRUTGBN-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H10N2O/c1-5(8)7-4-2-3-6/h2-3H,4,6H2,1H3,(H,7,8)/b3-2+.
What are the key properties of N-[(E)-3-aminoprop-2-enyl]acetamide?
N-[(E)-3-aminoprop-2-enyl]acetamide has a molecular weight of 114.15 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-aminoprop-2-enyl]acetamide is sourced from PubChem (CID 88796899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).