2-amino-4-methylhept-4-enamide

C8H16N2O — CID 123946306

IUPAC2-amino-4-methylhept-4-enamide
SMILESCCC=C(C)CC(N)C(N)=O
InChIInChI=1S/C8H16N2O/c1-3-4-6(2)5-7(9)8(10)11/h4,7H,3,5,9H2,1-2H3,(H2,10,11)
InChIKeyXAXQUGBKQWVIER-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.55
Rot. Bonds4

About 2-amino-4-methylhept-4-enamide

2-amino-4-methylhept-4-enamide (PubChem CID 123946306) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-amino-4-methylhept-4-enamide.

Molecular Properties

Compound Name2-amino-4-methylhept-4-enamide
PubChem CID123946306
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name2-amino-4-methylhept-4-enamide
SMILESCCC=C(C)CC(N)C(N)=O
InChIInChI=1S/C8H16N2O/c1-3-4-6(2)5-7(9)8(10)11/h4,7H,3,5,9H2,1-2H3,(H2,10,11)
InChIKeyXAXQUGBKQWVIER-UHFFFAOYSA-N
XLogP0.55
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.55
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-methylhept-4-enamide?
The IUPAC name of 2-amino-4-methylhept-4-enamide (CID 123946306) is 2-amino-4-methylhept-4-enamide.
What is the SMILES notation for 2-amino-4-methylhept-4-enamide?
The canonical SMILES for 2-amino-4-methylhept-4-enamide is CCC=C(C)CC(N)C(N)=O.
What is the InChIKey of 2-amino-4-methylhept-4-enamide?
The InChIKey is XAXQUGBKQWVIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-4-6(2)5-7(9)8(10)11/h4,7H,3,5,9H2,1-2H3,(H2,10,11).
What are the key properties of 2-amino-4-methylhept-4-enamide?
2-amino-4-methylhept-4-enamide has a molecular weight of 156.23 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylhept-4-enamide is sourced from PubChem (CID 123946306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).