2-acetylhexanedihydrazide

C8H16N4O3 — CID 141350110

IUPAC2-acetylhexanedihydrazide
SMILESCC(=O)C(CCCC(=O)NN)C(=O)NN
InChIInChI=1S/C8H16N4O3/c1-5(13)6(8(15)12-10)3-2-4-7(14)11-9/h6H,2-4,9-10H2,1H3,(H,11,14)(H,12,15)
InChIKeyLNLMBIISYWTZKN-UHFFFAOYSA-N
MW216.24 g/mol
LogP-1.66
Rot. Bonds6

About 2-acetylhexanedihydrazide

2-acetylhexanedihydrazide (PubChem CID 141350110) has the molecular formula C8H16N4O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-acetylhexanedihydrazide.

Molecular Properties

Compound Name2-acetylhexanedihydrazide
PubChem CID141350110
Molecular FormulaC8H16N4O3
Molecular Weight216.24 g/mol
Exact Mass216.12
IUPAC Name2-acetylhexanedihydrazide
SMILESCC(=O)C(CCCC(=O)NN)C(=O)NN
InChIInChI=1S/C8H16N4O3/c1-5(13)6(8(15)12-10)3-2-4-7(14)11-9/h6H,2-4,9-10H2,1H3,(H,11,14)(H,12,15)
InChIKeyLNLMBIISYWTZKN-UHFFFAOYSA-N
XLogP-1.66
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

hexane-1,1,6-tricarbohydrazide
CID 91506149
heptane-1,1,7-tricarbohydrazide
CID 91008212
5-oxohexanehydrazide
CID 126993835
hexanedihydrazide;pentanedihydrazide
CID 157195533
pentane-1,3,5-tricarbohydrazide
CID 18368507
(3R,5S)-heptane-1,3,5,7-tetracarbohydrazide
CID 102254875
(2R)-2-aminopentanedihydrazide
CID 13018201
3-methylhexanedihydrazide
CID 141312622
5-acetyl-6-oxoheptanoic acid
CID 21079454
2-aminopentanedioic acid;hexanedihydrazide
CID 175294666
4-(4-methylpentoxy)butanehydrazide
CID 63575354
butanedihydrazide;hydrochloride
CID 54607274

Frequently Asked Questions

What is the IUPAC name of 2-acetylhexanedihydrazide?
The IUPAC name of 2-acetylhexanedihydrazide (CID 141350110) is 2-acetylhexanedihydrazide.
What is the SMILES notation for 2-acetylhexanedihydrazide?
The canonical SMILES for 2-acetylhexanedihydrazide is CC(=O)C(CCCC(=O)NN)C(=O)NN.
What is the InChIKey of 2-acetylhexanedihydrazide?
The InChIKey is LNLMBIISYWTZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O3/c1-5(13)6(8(15)12-10)3-2-4-7(14)11-9/h6H,2-4,9-10H2,1H3,(H,11,14)(H,12,15).
What are the key properties of 2-acetylhexanedihydrazide?
2-acetylhexanedihydrazide has a molecular weight of 216.24 g/mol, XLogP of -1.66, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetylhexanedihydrazide is sourced from PubChem (CID 141350110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).