methyl 2-diazo-2-naphthalen-2-ylacetate

C13H10N2O2 — CID 73196574

IUPACmethyl 2-diazo-2-naphthalen-2-ylacetate
SMILESCOC(=O)C(=[N+]=[N-])c1ccc2ccccc2c1
InChIInChI=1S/C13H10N2O2/c1-17-13(16)12(15-14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKeyMUCWJOQQORNKOR-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.03
Rot. Bonds2

About methyl 2-diazo-2-naphthalen-2-ylacetate

methyl 2-diazo-2-naphthalen-2-ylacetate (PubChem CID 73196574) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is methyl 2-diazo-2-naphthalen-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-diazo-2-naphthalen-2-ylacetate
PubChem CID73196574
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Namemethyl 2-diazo-2-naphthalen-2-ylacetate
SMILESCOC(=O)C(=[N+]=[N-])c1ccc2ccccc2c1
InChIInChI=1S/C13H10N2O2/c1-17-13(16)12(15-14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3
InChIKeyMUCWJOQQORNKOR-UHFFFAOYSA-N
XLogP2.03
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

Methyl 1-naphthylacetate
CID 17891
Ethyl 2-naphthylacetate
CID 256821
Methyl 2-naphthaleneacetate
CID 5314037
Benzeneacetic acid, alpha-diazo-, methyl ester
CID 53436974
Methyl 2-(naphthalen-2-yl)propanoate
CID 9899240
Methyl 2-diazo-2-m-tolylacetate
CID 75094300
Methyl 2-([1,1'-biphenyl]-4-yl)-2-diazoacetate
CID 101156966
Methyl 2-diazo-2-[2-(3-fluorophenyl)phenyl]acetate
CID 101809639
Methyl 2-diazo-2-[2-[3-(trifluoromethyl)phenyl]phenyl]acetate
CID 101809646
Methyl 2-diazo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 139254066
Methyl 2-diazo-2-(3'-fluoro-[1,1'-biphenyl]-4-yl)acetate
CID 176522394
Methyl 2-diazo-2-(2',4'-difluoro-[1,1'-biphenyl]-3-yl)acetate
CID 176522399

Frequently Asked Questions

What is the IUPAC name of methyl 2-diazo-2-naphthalen-2-ylacetate?
The IUPAC name of methyl 2-diazo-2-naphthalen-2-ylacetate (CID 73196574) is methyl 2-diazo-2-naphthalen-2-ylacetate.
What is the SMILES notation for methyl 2-diazo-2-naphthalen-2-ylacetate?
The canonical SMILES for methyl 2-diazo-2-naphthalen-2-ylacetate is COC(=O)C(=[N+]=[N-])c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-diazo-2-naphthalen-2-ylacetate?
The InChIKey is MUCWJOQQORNKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-17-13(16)12(15-14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8H,1H3.
What are the key properties of methyl 2-diazo-2-naphthalen-2-ylacetate?
methyl 2-diazo-2-naphthalen-2-ylacetate has a molecular weight of 226.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazo-2-naphthalen-2-ylacetate is sourced from PubChem (CID 73196574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).