2-amino-4-methylpent-4-enamide

C6H12N2O — CID 10844406

IUPAC2-amino-4-methylpent-4-enamide
SMILESC=C(C)CC(N)C(N)=O
InChIInChI=1S/C6H12N2O/c1-4(2)3-5(7)6(8)9/h5H,1,3,7H2,2H3,(H2,8,9)
InChIKeyYMGPMDFPUYKVGX-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.23
Rot. Bonds3

About 2-amino-4-methylpent-4-enamide

2-amino-4-methylpent-4-enamide (PubChem CID 10844406) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-amino-4-methylpent-4-enamide.

Molecular Properties

Compound Name2-amino-4-methylpent-4-enamide
PubChem CID10844406
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-amino-4-methylpent-4-enamide
SMILESC=C(C)CC(N)C(N)=O
InChIInChI=1S/C6H12N2O/c1-4(2)3-5(7)6(8)9/h5H,1,3,7H2,2H3,(H2,8,9)
InChIKeyYMGPMDFPUYKVGX-UHFFFAOYSA-N
XLogP-0.23
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.23
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-amino-4-methylpent-4-enamide?
The IUPAC name of 2-amino-4-methylpent-4-enamide (CID 10844406) is 2-amino-4-methylpent-4-enamide.
What is the SMILES notation for 2-amino-4-methylpent-4-enamide?
The canonical SMILES for 2-amino-4-methylpent-4-enamide is C=C(C)CC(N)C(N)=O.
What is the InChIKey of 2-amino-4-methylpent-4-enamide?
The InChIKey is YMGPMDFPUYKVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4(2)3-5(7)6(8)9/h5H,1,3,7H2,2H3,(H2,8,9).
What are the key properties of 2-amino-4-methylpent-4-enamide?
2-amino-4-methylpent-4-enamide has a molecular weight of 128.17 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylpent-4-enamide is sourced from PubChem (CID 10844406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).