methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate

C19H16N2O3 — CID 137234398

IUPACmethyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)C=[N+]=[N-])CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O3/c1-24-17(23)19(16(22)12-21-20)13-18(19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,13H2,1H3
InChIKeyOESGKZMVNLFAFI-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.41
Rot. Bonds5

About methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate

methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate (PubChem CID 137234398) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate
PubChem CID137234398
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Namemethyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate
SMILESCOC(=O)C1(C(=O)C=[N+]=[N-])CC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H16N2O3/c1-24-17(23)19(16(22)12-21-20)13-18(19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,13H2,1H3
InChIKeyOESGKZMVNLFAFI-UHFFFAOYSA-N
XLogP2.41
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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 (1S)-1-amino-2,2-diphenylcyclopropane-1-carboxylate
CID 129408452
methyl (1S)-1,2,2-triphenylcyclopropane-1-carboxylate
CID 100975897
2,2-diphenylcyclopropane-1,1-dicarboxylic acid
CID 18401961
methyl 6-phenyltricyclo[4.1.0.01,3]heptane-3-carboxylate
CID 178096692
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
cis-methyl (1R,2R)-1,2-bis(4-methoxyphenyl)-2-phenylcyclopropane-1-carboxylate
CID 101031556
trans-methyl (1R,2S)-2-(4-methoxyphenyl)-1,2-diphenylcyclopropane-1-carboxylate
CID 101031534
methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate
CID 10958456
methyl 1-hydroxy-5,5-diphenylcyclopent-2-ene-1-carboxylate
CID 14434450
methyl (1R)-2-methyl-2-phenyl-1-(pyrrole-1-carbonyl)cyclopropane-1-carboxylate
CID 134847838
methyl 1-carbamoyl-2-(2-hydroxyethyl)-2-phenylcyclopropane-1-carboxylate
CID 59692369
methyl 2-phenylspiro[2.3]hexane-2-carboxylate
CID 134589125

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate (CID 137234398) is methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate is COC(=O)C1(C(=O)C=[N+]=[N-])CC1(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate?
The InChIKey is OESGKZMVNLFAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-24-17(23)19(16(22)12-21-20)13-18(19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,13H2,1H3.
What are the key properties of methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate?
methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate has a molecular weight of 320.35 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-diazoacetyl)-2,2-diphenylcyclopropane-1-carboxylate is sourced from PubChem (CID 137234398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).