methyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate

C10H20N4O4 — CID 19825686

IUPACmethyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate
SMILESCOC(=O)CCCCC(C)(C(=O)NN)C(=O)NN
InChIInChI=1S/C10H20N4O4/c1-10(8(16)13-11,9(17)14-12)6-4-3-5-7(15)18-2/h3-6,11-12H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyNOYIDWBYMAELSA-UHFFFAOYSA-N
MW260.29 g/mol
LogP-1.29
Rot. Bonds7

About methyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate

methyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate (PubChem CID 19825686) has the molecular formula C10H20N4O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate.

Molecular Properties

Compound Namemethyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate
PubChem CID19825686
Molecular FormulaC10H20N4O4
Molecular Weight260.29 g/mol
Exact Mass260.15
IUPAC Namemethyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate
SMILESCOC(=O)CCCCC(C)(C(=O)NN)C(=O)NN
InChIInChI=1S/C10H20N4O4/c1-10(8(16)13-11,9(17)14-12)6-4-3-5-7(15)18-2/h3-6,11-12H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyNOYIDWBYMAELSA-UHFFFAOYSA-N
XLogP-1.29
TPSA136.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

methyl 6,6-dimethylheptanoate
CID 20777196
CID 162111833
CID 162111833
dimethyl dotriacontanedioate
CID 14325565
dimethyl hexanedioate;λ2-stannane
CID 173290075
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl tricosanedioate
CID 12632762
dimethyl hexanedioate;stannane
CID 173290076
dimethyl hexanedioate;molecular hydrogen
CID 173272620
methyl 11,11,12,12,12-pentafluorododecanoate
CID 11324149
(2,5-dihydroxypyrrol-1-yl) 3-[[6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoyl]amino]propanoate
CID 54319212
dimethyl 6,7-dioxododecanedioate
CID 71343651
dimethyl pentanedioate;hydrochloride
CID 175168861

Frequently Asked Questions

What is the IUPAC name of methyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate?
The IUPAC name of methyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate (CID 19825686) is methyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate.
What is the SMILES notation for methyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate?
The canonical SMILES for methyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate is COC(=O)CCCCC(C)(C(=O)NN)C(=O)NN.
What is the InChIKey of methyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate?
The InChIKey is NOYIDWBYMAELSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O4/c1-10(8(16)13-11,9(17)14-12)6-4-3-5-7(15)18-2/h3-6,11-12H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of methyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate?
methyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate has a molecular weight of 260.29 g/mol, XLogP of -1.29, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(hydrazinecarbonyl)-7-hydrazinyl-6-methyl-7-oxoheptanoate is sourced from PubChem (CID 19825686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).