2-acetamidopent-4-enoylazanium

C7H13N2O2+ — CID 163668073

IUPAC2-acetamidopent-4-enoylazanium
SMILESC=CCC(NC(C)=O)C([NH3+])=O
InChIInChI=1S/C7H12N2O2/c1-3-4-6(7(8)11)9-5(2)10/h3,6H,1,4H2,2H3,(H2,8,11)(H,9,10)/p+1
InChIKeyJADXHWCPKHSUCP-UHFFFAOYSA-O
MW157.19 g/mol
LogP-1.16
Rot. Bonds4

About 2-acetamidopent-4-enoylazanium

2-acetamidopent-4-enoylazanium (PubChem CID 163668073) has the molecular formula C7H13N2O2+ and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-acetamidopent-4-enoylazanium.

Molecular Properties

Compound Name2-acetamidopent-4-enoylazanium
PubChem CID163668073
Molecular FormulaC7H13N2O2+
Molecular Weight157.19 g/mol
Exact Mass157.10
IUPAC Name2-acetamidopent-4-enoylazanium
SMILESC=CCC(NC(C)=O)C([NH3+])=O
InChIInChI=1S/C7H12N2O2/c1-3-4-6(7(8)11)9-5(2)10/h3,6H,1,4H2,2H3,(H2,8,11)(H,9,10)/p+1
InChIKeyJADXHWCPKHSUCP-UHFFFAOYSA-O
XLogP-1.16
TPSA73.81 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-acetamidopent-4-enoylazanium?
The IUPAC name of 2-acetamidopent-4-enoylazanium (CID 163668073) is 2-acetamidopent-4-enoylazanium.
What is the SMILES notation for 2-acetamidopent-4-enoylazanium?
The canonical SMILES for 2-acetamidopent-4-enoylazanium is C=CCC(NC(C)=O)C([NH3+])=O.
What is the InChIKey of 2-acetamidopent-4-enoylazanium?
The InChIKey is JADXHWCPKHSUCP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H12N2O2/c1-3-4-6(7(8)11)9-5(2)10/h3,6H,1,4H2,2H3,(H2,8,11)(H,9,10)/p+1.
What are the key properties of 2-acetamidopent-4-enoylazanium?
2-acetamidopent-4-enoylazanium has a molecular weight of 157.19 g/mol, XLogP of -1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidopent-4-enoylazanium is sourced from PubChem (CID 163668073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).