(2E)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide

C9H12N2O2 — CID 134408577

IUPAC(2E)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide
SMILESC=C/C(C=O)=C(\N=C\C)C(=O)NC
InChIInChI=1S/C9H12N2O2/c1-4-7(6-12)8(11-5-2)9(13)10-3/h4-6H,1H2,2-3H3,(H,10,13)/b8-7+,11-5+
InChIKeyLIOLCLDHCDYHSH-VAZWZHNFSA-N
MW180.21 g/mol
LogP0.46
Rot. Bonds4

About (2E)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide

(2E)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide (PubChem CID 134408577) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is (2E)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide
PubChem CID134408577
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name(2E)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide
SMILESC=C/C(C=O)=C(\N=C\C)C(=O)NC
InChIInChI=1S/C9H12N2O2/c1-4-7(6-12)8(11-5-2)9(13)10-3/h4-6H,1H2,2-3H3,(H,10,13)/b8-7+,11-5+
InChIKeyLIOLCLDHCDYHSH-VAZWZHNFSA-N
XLogP0.46
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide?
The IUPAC name of (2E)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide (CID 134408577) is (2E)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide?
The canonical SMILES for (2E)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide is C=C/C(C=O)=C(\N=C\C)C(=O)NC.
What is the InChIKey of (2E)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide?
The InChIKey is LIOLCLDHCDYHSH-VAZWZHNFSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-4-7(6-12)8(11-5-2)9(13)10-3/h4-6H,1H2,2-3H3,(H,10,13)/b8-7+,11-5+.
What are the key properties of (2E)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide?
(2E)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide has a molecular weight of 180.21 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(ethylideneamino)-3-formyl-N-methylpenta-2,4-dienamide is sourced from PubChem (CID 134408577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).