5-amino-2-methylpent-2-enamide

C6H12N2O — CID 91571744

IUPAC5-amino-2-methylpent-2-enamide
SMILESCC(=CCCN)C(N)=O
InChIInChI=1S/C6H12N2O/c1-5(6(8)9)3-2-4-7/h3H,2,4,7H2,1H3,(H2,8,9)
InChIKeyAJQXZWKKWGNGPA-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.23
Rot. Bonds3

About 5-amino-2-methylpent-2-enamide

5-amino-2-methylpent-2-enamide (PubChem CID 91571744) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 5-amino-2-methylpent-2-enamide.

Molecular Properties

Compound Name5-amino-2-methylpent-2-enamide
PubChem CID91571744
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name5-amino-2-methylpent-2-enamide
SMILESCC(=CCCN)C(N)=O
InChIInChI=1S/C6H12N2O/c1-5(6(8)9)3-2-4-7/h3H,2,4,7H2,1H3,(H2,8,9)
InChIKeyAJQXZWKKWGNGPA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylpent-2-enamide?
The IUPAC name of 5-amino-2-methylpent-2-enamide (CID 91571744) is 5-amino-2-methylpent-2-enamide.
What is the SMILES notation for 5-amino-2-methylpent-2-enamide?
The canonical SMILES for 5-amino-2-methylpent-2-enamide is CC(=CCCN)C(N)=O.
What is the InChIKey of 5-amino-2-methylpent-2-enamide?
The InChIKey is AJQXZWKKWGNGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(6(8)9)3-2-4-7/h3H,2,4,7H2,1H3,(H2,8,9).
What are the key properties of 5-amino-2-methylpent-2-enamide?
5-amino-2-methylpent-2-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 5-amino-2-methylpent-2-enamide is sourced from PubChem (CID 91571744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).