1-diazoethyl 2-phenylacetate

C10H10N2O2 — CID 150206878

IUPAC1-diazoethyl 2-phenylacetate
SMILESCC(=[N+]=[N-])OC(=O)Cc1ccccc1
InChIInChI=1S/C10H10N2O2/c1-8(12-11)14-10(13)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyFQRBCHGBKJJMPX-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.42
Rot. Bonds2

About 1-diazoethyl 2-phenylacetate

1-diazoethyl 2-phenylacetate (PubChem CID 150206878) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-diazoethyl 2-phenylacetate.

Molecular Properties

Compound Name1-diazoethyl 2-phenylacetate
PubChem CID150206878
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-diazoethyl 2-phenylacetate
SMILESCC(=[N+]=[N-])OC(=O)Cc1ccccc1
InChIInChI=1S/C10H10N2O2/c1-8(12-11)14-10(13)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyFQRBCHGBKJJMPX-UHFFFAOYSA-N
XLogP1.42
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.42
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': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(2-phenylacetyl) propanoate
CID 91029268
(2-phenylacetyl) butanoate
CID 54432060
tris(2-phenylacetyl) ethane-1,1,1-tricarboxylate
CID 173141327
(2-phenylacetyl) 2-phenylacetate;pyridine
CID 88818246
bis(2-phenylacetyl) 2-chloro-2-methylpropanedioate
CID 173141166
CID 172801156
CID 172801156
acetyloxymethyl 2-phenylacetate
CID 121486345
(2-phenylacetyl)oxy 2-phenylethaneperoxoate
CID 87450697
ethyl 2-phenylacetate
CID 7590
benzene;1-phenylpropan-2-one
CID 21430852
1-ethoxyethenyl 2-phenylacetate
CID 11264222
CID 174393592
CID 174393592

Frequently Asked Questions

What is the IUPAC name of 1-diazoethyl 2-phenylacetate?
The IUPAC name of 1-diazoethyl 2-phenylacetate (CID 150206878) is 1-diazoethyl 2-phenylacetate.
What is the SMILES notation for 1-diazoethyl 2-phenylacetate?
The canonical SMILES for 1-diazoethyl 2-phenylacetate is CC(=[N+]=[N-])OC(=O)Cc1ccccc1.
What is the InChIKey of 1-diazoethyl 2-phenylacetate?
The InChIKey is FQRBCHGBKJJMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-8(12-11)14-10(13)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of 1-diazoethyl 2-phenylacetate?
1-diazoethyl 2-phenylacetate has a molecular weight of 190.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazoethyl 2-phenylacetate is sourced from PubChem (CID 150206878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).