4-aminopent-2-enamide

C5H10N2O — CID 90746791

IUPAC4-aminopent-2-enamide
SMILESCC(N)C=CC(N)=O
InChIInChI=1S/C5H10N2O/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H2,7,8)
InChIKeyZVURNDWBZMZEMP-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.62
Rot. Bonds2

About 4-aminopent-2-enamide

4-aminopent-2-enamide (PubChem CID 90746791) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 4-aminopent-2-enamide.

Molecular Properties

Compound Name4-aminopent-2-enamide
PubChem CID90746791
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name4-aminopent-2-enamide
SMILESCC(N)C=CC(N)=O
InChIInChI=1S/C5H10N2O/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H2,7,8)
InChIKeyZVURNDWBZMZEMP-UHFFFAOYSA-N
XLogP-0.62
TPSA69.11 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 ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-aminopent-2-enamide?
The IUPAC name of 4-aminopent-2-enamide (CID 90746791) is 4-aminopent-2-enamide.
What is the SMILES notation for 4-aminopent-2-enamide?
The canonical SMILES for 4-aminopent-2-enamide is CC(N)C=CC(N)=O.
What is the InChIKey of 4-aminopent-2-enamide?
The InChIKey is ZVURNDWBZMZEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(6)2-3-5(7)8/h2-4H,6H2,1H3,(H2,7,8).
What are the key properties of 4-aminopent-2-enamide?
4-aminopent-2-enamide has a molecular weight of 114.15 g/mol, XLogP of -0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopent-2-enamide is sourced from PubChem (CID 90746791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).