5-oxohexanehydrazide

C6H12N2O2 — CID 126993835

IUPAC5-oxohexanehydrazide
SMILESCC(=O)CCCC(=O)NN
InChIInChI=1S/C6H12N2O2/c1-5(9)3-2-4-6(10)8-7/h2-4,7H2,1H3,(H,8,10)
InChIKeyGRBGUPYTFKNEBI-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.26
Rot. Bonds4

About 5-oxohexanehydrazide

5-oxohexanehydrazide (PubChem CID 126993835) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is 5-oxohexanehydrazide.

Molecular Properties

Compound Name5-oxohexanehydrazide
PubChem CID126993835
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name5-oxohexanehydrazide
SMILESCC(=O)CCCC(=O)NN
InChIInChI=1S/C6H12N2O2/c1-5(9)3-2-4-6(10)8-7/h2-4,7H2,1H3,(H,8,10)
InChIKeyGRBGUPYTFKNEBI-UHFFFAOYSA-N
XLogP-0.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
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'}

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Related Compounds

hexanedihydrazide;pentanedihydrazide
CID 157195533
(Z)-6-amino-7-hydrazinylhept-6-en-2-one
CID 149262935
butanedihydrazide;hydrochloride
CID 54607274
12-hydroxydodecanehydrazide
CID 12718243
10-hydrazinyl-10-oxodecanoic acid
CID 175271493
4-trimethylsilylbutanehydrazide;trihydrate
CID 162097019
nonadecane-2,6,10,14,18-pentone
CID 539058
tricosane-2,6,10,14,18,22-hexone
CID 537144
N-(2-aminosulfanylethyl)-5-oxohexanamide
CID 146281528
2-acetylhexanedihydrazide
CID 141350110
methanethiol;molecular hydrogen;5-oxo-N-propylhexanamide
CID 178099887
6-N'-(2-methylprop-2-enoyl)hexanedihydrazide
CID 162361441

Frequently Asked Questions

What is the IUPAC name of 5-oxohexanehydrazide?
The IUPAC name of 5-oxohexanehydrazide (CID 126993835) is 5-oxohexanehydrazide.
What is the SMILES notation for 5-oxohexanehydrazide?
The canonical SMILES for 5-oxohexanehydrazide is CC(=O)CCCC(=O)NN.
What is the InChIKey of 5-oxohexanehydrazide?
The InChIKey is GRBGUPYTFKNEBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-5(9)3-2-4-6(10)8-7/h2-4,7H2,1H3,(H,8,10).
What are the key properties of 5-oxohexanehydrazide?
5-oxohexanehydrazide has a molecular weight of 144.17 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxohexanehydrazide is sourced from PubChem (CID 126993835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).