methyl 2-diazo-3-oxononanoate

C10H16N2O3 — CID 139842645

IUPACmethyl 2-diazo-3-oxononanoate
SMILESCCCCCCC(=O)C(=[N+]=[N-])C(=O)OC
InChIInChI=1S/C10H16N2O3/c1-3-4-5-6-7-8(13)9(12-11)10(14)15-2/h3-7H2,1-2H3
InChIKeyDYXZNPSMSHMXCU-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.37
Rot. Bonds7

About methyl 2-diazo-3-oxononanoate

methyl 2-diazo-3-oxononanoate (PubChem CID 139842645) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is methyl 2-diazo-3-oxononanoate.

Molecular Properties

Compound Namemethyl 2-diazo-3-oxononanoate
PubChem CID139842645
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namemethyl 2-diazo-3-oxononanoate
SMILESCCCCCCC(=O)C(=[N+]=[N-])C(=O)OC
InChIInChI=1S/C10H16N2O3/c1-3-4-5-6-7-8(13)9(12-11)10(14)15-2/h3-7H2,1-2H3
InChIKeyDYXZNPSMSHMXCU-UHFFFAOYSA-N
XLogP1.37
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-diazo-3-oxononanoate
CID 137280982
methyl 2,3-dioxotetracosanoate
CID 174604559
6-diazotridecan-7-one
CID 85353104
methyl 2-oxononadec-10-ynoate
CID 10639602
nonatriacontane-16,17-dione
CID 175447711
octadecane-9,10-dione
CID 10902085
2-methoxydec-1-en-3-one
CID 131862503
copper methyl 3-oxoicosanoate
CID 158027661
methyl 2-pentylidenehexadecanoate
CID 174821215
dimethyl 2-ethyl-3-heptylbut-2-enedioate
CID 123502335
methyl 2,3-dimethyltetradec-2-enoate
CID 175495328
dimethyl 2-decyl-3-ethylbut-2-enedioate
CID 123185855

Frequently Asked Questions

What is the IUPAC name of methyl 2-diazo-3-oxononanoate?
The IUPAC name of methyl 2-diazo-3-oxononanoate (CID 139842645) is methyl 2-diazo-3-oxononanoate.
What is the SMILES notation for methyl 2-diazo-3-oxononanoate?
The canonical SMILES for methyl 2-diazo-3-oxononanoate is CCCCCCC(=O)C(=[N+]=[N-])C(=O)OC.
What is the InChIKey of methyl 2-diazo-3-oxononanoate?
The InChIKey is DYXZNPSMSHMXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-4-5-6-7-8(13)9(12-11)10(14)15-2/h3-7H2,1-2H3.
What are the key properties of methyl 2-diazo-3-oxononanoate?
methyl 2-diazo-3-oxononanoate has a molecular weight of 212.25 g/mol, XLogP of 1.37, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazo-3-oxononanoate is sourced from PubChem (CID 139842645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).