2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide

C8H14N2O2 — CID 166753302

IUPAC2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide
SMILESC=C/C=C/OCC(=O)NNCC
InChIInChI=1S/C8H14N2O2/c1-3-5-6-12-7-8(11)10-9-4-2/h3,5-6,9H,1,4,7H2,2H3,(H,10,11)/b6-5+
InChIKeyIWQVZVOVWHPZGZ-AATRIKPKSA-N
MW170.21 g/mol
LogP0.34
Rot. Bonds6

About 2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide

2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide (PubChem CID 166753302) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide.

Molecular Properties

Compound Name2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide
PubChem CID166753302
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide
SMILESC=C/C=C/OCC(=O)NNCC
InChIInChI=1S/C8H14N2O2/c1-3-5-6-12-7-8(11)10-9-4-2/h3,5-6,9H,1,4,7H2,2H3,(H,10,11)/b6-5+
InChIKeyIWQVZVOVWHPZGZ-AATRIKPKSA-N
XLogP0.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(1E)-1-ethoxybuta-1,3-diene
CID 5462978
1-(2-methoxyethoxy)buta-1,3-diene
CID 123812918
(3E)-N-ethylhexa-3,5-dienamide
CID 155482476
(2E,4Z)-N-ethylhepta-2,4,6-trien-3-amine;methane
CID 143049529
N'-ethyl-2-methylprop-2-enehydrazide
CID 18424014
N-[(3E)-hexa-1,3,5-trien-3-yl]-2-methoxyacetamide
CID 143389329
buta-1,3-dienyl 2-hydroxyacetate
CID 174778577
[(1E)-buta-1,3-dienyl] hydrogen carbonate
CID 102018408
(3E)-1-methoxyhexa-3,5-dien-2-one
CID 131241079
(3Z)-N-methylhexa-3,5-dienamide
CID 90245827
buta-1,3-dienyl carbamate
CID 174727921
(1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine
CID 126710731

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide?
The IUPAC name of 2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide (CID 166753302) is 2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide.
What is the SMILES notation for 2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide?
The canonical SMILES for 2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide is C=C/C=C/OCC(=O)NNCC.
What is the InChIKey of 2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide?
The InChIKey is IWQVZVOVWHPZGZ-AATRIKPKSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-3-5-6-12-7-8(11)10-9-4-2/h3,5-6,9H,1,4,7H2,2H3,(H,10,11)/b6-5+.
What are the key properties of 2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide?
2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide has a molecular weight of 170.21 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-buta-1,3-dienoxy]-N'-ethylacetohydrazide is sourced from PubChem (CID 166753302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).