(E)-3-methylpent-3-enamide

C6H11NO — CID 14980626

IUPAC(E)-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-HWKANZROSA-N
MW113.16 g/mol
LogP0.83
Rot. Bonds2

About (E)-3-methylpent-3-enamide

(E)-3-methylpent-3-enamide (PubChem CID 14980626) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-3-methylpent-3-enamide.

Molecular Properties

Compound Name(E)-3-methylpent-3-enamide
PubChem CID14980626
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E)-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-HWKANZROSA-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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Related Compounds

(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienamide
CID 46230683
(E)-oct-4-enamide
CID 11378544
Oct-4-enamide
CID 53432400
3-Pentenamide, (E)-
CID 53856717
Farnesylacetamide
CID 57191042
Diathylallylacetamid
CID 71431548
3-Methyl-3-butenamide
CID 10240768
(E)-hex-3-enamide
CID 15937545
Hex-4-enamide
CID 54203128
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trienamide
CID 88586585
(3E)-Pent-3-enamide
CID 9812758
(E)-hex-4-enamide
CID 10909533

Frequently Asked Questions

What is the IUPAC name of (E)-3-methylpent-3-enamide?
The IUPAC name of (E)-3-methylpent-3-enamide (CID 14980626) is (E)-3-methylpent-3-enamide.
What is the SMILES notation for (E)-3-methylpent-3-enamide?
The canonical SMILES for (E)-3-methylpent-3-enamide is C/C=C(\C)CC(N)=O.
What is the InChIKey of (E)-3-methylpent-3-enamide?
The InChIKey is FDCJCIRHYZNLDV-HWKANZROSA-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 (E)-3-methylpent-3-enamide?
(E)-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 (E)-3-methylpent-3-enamide is sourced from PubChem (CID 14980626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).