ethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide

C10H21N3O — CID 143733482

IUPACethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide
SMILESC/C=C\C=C(/C)NCC(=O)NN.CC
InChIInChI=1S/C8H15N3O.C2H6/c1-3-4-5-7(2)10-6-8(12)11-9;1-2/h3-5,10H,6,9H2,1-2H3,(H,11,12);1-2H3/b4-3-,7-5+;
InChIKeyJCGIKYKJBOTIEM-LMMDHOJISA-N
MW199.30 g/mol
LogP1.07
Rot. Bonds4

About ethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide

ethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide (PubChem CID 143733482) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is ethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide.

Molecular Properties

Compound Nameethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide
PubChem CID143733482
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Nameethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide
SMILESC/C=C\C=C(/C)NCC(=O)NN.CC
InChIInChI=1S/C8H15N3O.C2H6/c1-3-4-5-7(2)10-6-8(12)11-9;1-2/h3-5,10H,6,9H2,1-2H3,(H,11,12);1-2H3/b4-3-,7-5+;
InChIKeyJCGIKYKJBOTIEM-LMMDHOJISA-N
XLogP1.07
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide with MolForge

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Related Compounds

2-(methylamino)acetohydrazide
CID 22479968
(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043
(2Z,4Z)-N-methylhexa-2,4-dien-2-amine
CID 89105834
N-[(2Z,4Z)-2-(methylideneamino)hexa-2,4-dienyl]acetamide
CID 129262304
ethane;propanehydrazide
CID 143310399
(2Z)-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-2-hydroxyiminoacetamide
CID 166956386
ethyl (3E,5Z)-3-methylhepta-3,5-dienoate
CID 59963772
(4E,6Z)-2-amino-3-hydroxy-4-methyl-N-(2-sulfanylethyl)octa-4,6-dienamide
CID 88918278
[(2E,4E,6E)-octa-2,4,6-trien-4-yl]hydrazine
CID 143703832
5-oxohexanehydrazide
CID 126993835
(2Z,4Z)-2-hydrazinyl-N-propan-2-ylhexa-2,4-dienamide
CID 134458222
2-amino-N-hexa-2,4-dien-2-yl-2-(4-methylphenyl)acetamide
CID 123450915

Frequently Asked Questions

What is the IUPAC name of ethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide?
The IUPAC name of ethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide (CID 143733482) is ethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide.
What is the SMILES notation for ethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide?
The canonical SMILES for ethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide is C/C=C\C=C(/C)NCC(=O)NN.CC.
What is the InChIKey of ethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide?
The InChIKey is JCGIKYKJBOTIEM-LMMDHOJISA-N. The full InChI is InChI=1S/C8H15N3O.C2H6/c1-3-4-5-7(2)10-6-8(12)11-9;1-2/h3-5,10H,6,9H2,1-2H3,(H,11,12);1-2H3/b4-3-,7-5+;.
What are the key properties of ethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide?
ethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide has a molecular weight of 199.30 g/mol, XLogP of 1.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[[(2E,4Z)-hexa-2,4-dien-2-yl]amino]acetohydrazide is sourced from PubChem (CID 143733482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).