(3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide

C10H16N2O — CID 89068370

IUPAC(3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide
SMILESC=C/C=C(\C=C/N)CC(=O)NCC
InChIInChI=1S/C10H16N2O/c1-3-5-9(6-7-11)8-10(13)12-4-2/h3,5-7H,1,4,8,11H2,2H3,(H,12,13)/b7-6-,9-5+
InChIKeyIECDUTIGQOHSLD-QRLJIZSYSA-N
MW180.25 g/mol
LogP1.10
Rot. Bonds5

About (3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide

(3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide (PubChem CID 89068370) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide.

Molecular Properties

Compound Name(3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide
PubChem CID89068370
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide
SMILESC=C/C=C(\C=C/N)CC(=O)NCC
InChIInChI=1S/C10H16N2O/c1-3-5-9(6-7-11)8-10(13)12-4-2/h3,5-7H,1,4,8,11H2,2H3,(H,12,13)/b7-6-,9-5+
InChIKeyIECDUTIGQOHSLD-QRLJIZSYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide?
The IUPAC name of (3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide (CID 89068370) is (3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide.
What is the SMILES notation for (3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide?
The canonical SMILES for (3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide is C=C/C=C(\C=C/N)CC(=O)NCC.
What is the InChIKey of (3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide?
The InChIKey is IECDUTIGQOHSLD-QRLJIZSYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-5-9(6-7-11)8-10(13)12-4-2/h3,5-7H,1,4,8,11H2,2H3,(H,12,13)/b7-6-,9-5+.
What are the key properties of (3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide?
(3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide has a molecular weight of 180.25 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(Z)-2-aminoethenyl]-N-ethylhexa-3,5-dienamide is sourced from PubChem (CID 89068370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).