(2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide

C10H16N2O — CID 89043475

IUPAC(2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide
SMILESC=C/C=C(\C=C/CN)C(=O)NCC
InChIInChI=1S/C10H16N2O/c1-3-6-9(7-5-8-11)10(13)12-4-2/h3,5-7H,1,4,8,11H2,2H3,(H,12,13)/b7-5-,9-6+
InChIKeyZZNSZGJKXOEXTD-XCZNYUDNSA-N
MW180.25 g/mol
LogP0.75
Rot. Bonds5

About (2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide

(2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide (PubChem CID 89043475) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide
PubChem CID89043475
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide
SMILESC=C/C=C(\C=C/CN)C(=O)NCC
InChIInChI=1S/C10H16N2O/c1-3-6-9(7-5-8-11)10(13)12-4-2/h3,5-7H,1,4,8,11H2,2H3,(H,12,13)/b7-5-,9-6+
InChIKeyZZNSZGJKXOEXTD-XCZNYUDNSA-N
XLogP0.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide?
The IUPAC name of (2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide (CID 89043475) is (2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide.
What is the SMILES notation for (2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide?
The canonical SMILES for (2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide is C=C/C=C(\C=C/CN)C(=O)NCC.
What is the InChIKey of (2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide?
The InChIKey is ZZNSZGJKXOEXTD-XCZNYUDNSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-6-9(7-5-8-11)10(13)12-4-2/h3,5-7H,1,4,8,11H2,2H3,(H,12,13)/b7-5-,9-6+.
What are the key properties of (2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide?
(2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide has a molecular weight of 180.25 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-3-aminoprop-1-enyl]-N-ethylpenta-2,4-dienamide is sourced from PubChem (CID 89043475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).