(2E,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide

C7H10N2O — CID 90245545

IUPAC(2E,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide
SMILESC=N/C=C\C=C\C(=O)NC
InChIInChI=1S/C7H10N2O/c1-8-6-4-3-5-7(10)9-2/h3-6H,1H2,2H3,(H,9,10)/b5-3+,6-4-
InChIKeyRZTHXGMDAKKSKU-UZNMPDEFSA-N
MW138.17 g/mol
LogP0.50
Rot. Bonds3

About (2E,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide

(2E,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide (PubChem CID 90245545) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (2E,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide
PubChem CID90245545
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(2E,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide
SMILESC=N/C=C\C=C\C(=O)NC
InChIInChI=1S/C7H10N2O/c1-8-6-4-3-5-7(10)9-2/h3-6H,1H2,2H3,(H,9,10)/b5-3+,6-4-
InChIKeyRZTHXGMDAKKSKU-UZNMPDEFSA-N
XLogP0.50
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.50
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,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide?
The IUPAC name of (2E,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide (CID 90245545) is (2E,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide.
What is the SMILES notation for (2E,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide?
The canonical SMILES for (2E,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide is C=N/C=C\C=C\C(=O)NC.
What is the InChIKey of (2E,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide?
The InChIKey is RZTHXGMDAKKSKU-UZNMPDEFSA-N. The full InChI is InChI=1S/C7H10N2O/c1-8-6-4-3-5-7(10)9-2/h3-6H,1H2,2H3,(H,9,10)/b5-3+,6-4-.
What are the key properties of (2E,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide?
(2E,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide has a molecular weight of 138.17 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-methyl-5-(methylideneamino)penta-2,4-dienamide is sourced from PubChem (CID 90245545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).