(Z)-3-methylpent-3-enamide

C6H11NO — CID 55281571

IUPAC(Z)-3-methylpent-3-enamide
SMILESC/C=C(/C)CC(N)=O
InChIInChI=1S/C6H11NO/c1-3-5(2)4-6(7)8/h3H,4H2,1-2H3,(H2,7,8)/b5-3-
InChIKeyFDCJCIRHYZNLDV-HYXAFXHYSA-N
MW113.16 g/mol
LogP0.83
Rot. Bonds2

About (Z)-3-methylpent-3-enamide

(Z)-3-methylpent-3-enamide (PubChem CID 55281571) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (Z)-3-methylpent-3-enamide.

Molecular Properties

Compound Name(Z)-3-methylpent-3-enamide
PubChem CID55281571
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(Z)-3-methylpent-3-enamide
SMILESC/C=C(/C)CC(N)=O
InChIInChI=1S/C6H11NO/c1-3-5(2)4-6(7)8/h3H,4H2,1-2H3,(H2,7,8)/b5-3-
InChIKeyFDCJCIRHYZNLDV-HYXAFXHYSA-N
XLogP0.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (Z)-3-methylpent-3-enamide?
The IUPAC name of (Z)-3-methylpent-3-enamide (CID 55281571) is (Z)-3-methylpent-3-enamide.
What is the SMILES notation for (Z)-3-methylpent-3-enamide?
The canonical SMILES for (Z)-3-methylpent-3-enamide is C/C=C(/C)CC(N)=O.
What is the InChIKey of (Z)-3-methylpent-3-enamide?
The InChIKey is FDCJCIRHYZNLDV-HYXAFXHYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-5(2)4-6(7)8/h3H,4H2,1-2H3,(H2,7,8)/b5-3-.
What are the key properties of (Z)-3-methylpent-3-enamide?
(Z)-3-methylpent-3-enamide has a molecular weight of 113.16 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methylpent-3-enamide is sourced from PubChem (CID 55281571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).