methyl 2-diazo-2-(3-methoxyphenyl)acetate

C10H10N2O3 — CID 75094312

IUPACmethyl 2-diazo-2-(3-methoxyphenyl)acetate
SMILESCOC(=O)C(=[N+]=[N-])c1cccc(OC)c1
InChIInChI=1S/C10H10N2O3/c1-14-8-5-3-4-7(6-8)9(12-11)10(13)15-2/h3-6H,1-2H3
InChIKeyPSCXDAIMGQDKON-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.89
Rot. Bonds3

About methyl 2-diazo-2-(3-methoxyphenyl)acetate

methyl 2-diazo-2-(3-methoxyphenyl)acetate (PubChem CID 75094312) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is methyl 2-diazo-2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-diazo-2-(3-methoxyphenyl)acetate
PubChem CID75094312
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Namemethyl 2-diazo-2-(3-methoxyphenyl)acetate
SMILESCOC(=O)C(=[N+]=[N-])c1cccc(OC)c1
InChIInChI=1S/C10H10N2O3/c1-14-8-5-3-4-7(6-8)9(12-11)10(13)15-2/h3-6H,1-2H3
InChIKeyPSCXDAIMGQDKON-UHFFFAOYSA-N
XLogP0.89
TPSA71.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-diazo-2-(3-methoxyphenyl)acetate?
The IUPAC name of methyl 2-diazo-2-(3-methoxyphenyl)acetate (CID 75094312) is methyl 2-diazo-2-(3-methoxyphenyl)acetate.
What is the SMILES notation for methyl 2-diazo-2-(3-methoxyphenyl)acetate?
The canonical SMILES for methyl 2-diazo-2-(3-methoxyphenyl)acetate is COC(=O)C(=[N+]=[N-])c1cccc(OC)c1.
What is the InChIKey of methyl 2-diazo-2-(3-methoxyphenyl)acetate?
The InChIKey is PSCXDAIMGQDKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-14-8-5-3-4-7(6-8)9(12-11)10(13)15-2/h3-6H,1-2H3.
What are the key properties of methyl 2-diazo-2-(3-methoxyphenyl)acetate?
methyl 2-diazo-2-(3-methoxyphenyl)acetate has a molecular weight of 206.20 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazo-2-(3-methoxyphenyl)acetate is sourced from PubChem (CID 75094312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).