(2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide

C10H14N2O — CID 145198431

IUPAC(2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide
SMILESC=C/N=C/C(=C)/C(C)=C/C(=O)NC
InChIInChI=1S/C10H14N2O/c1-5-12-7-9(3)8(2)6-10(13)11-4/h5-7H,1,3H2,2,4H3,(H,11,13)/b8-6+,12-7+
InChIKeyCLWHTBFLYSOSDI-ULBORTECSA-N
MW178.23 g/mol
LogP1.45
Rot. Bonds4

About (2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide

(2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide (PubChem CID 145198431) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide
PubChem CID145198431
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide
SMILESC=C/N=C/C(=C)/C(C)=C/C(=O)NC
InChIInChI=1S/C10H14N2O/c1-5-12-7-9(3)8(2)6-10(13)11-4/h5-7H,1,3H2,2,4H3,(H,11,13)/b8-6+,12-7+
InChIKeyCLWHTBFLYSOSDI-ULBORTECSA-N
XLogP1.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide?
The IUPAC name of (2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide (CID 145198431) is (2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide?
The canonical SMILES for (2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide is C=C/N=C/C(=C)/C(C)=C/C(=O)NC.
What is the InChIKey of (2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide?
The InChIKey is CLWHTBFLYSOSDI-ULBORTECSA-N. The full InChI is InChI=1S/C10H14N2O/c1-5-12-7-9(3)8(2)6-10(13)11-4/h5-7H,1,3H2,2,4H3,(H,11,13)/b8-6+,12-7+.
What are the key properties of (2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide?
(2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide has a molecular weight of 178.23 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-(ethenyliminomethyl)-N,3-dimethylpenta-2,4-dienamide is sourced from PubChem (CID 145198431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).