methyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate

C8H10N2O3 — CID 54437342

IUPACmethyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1CCC1C(=O)C=[N+]=[N-]
InChIInChI=1S/C8H10N2O3/c1-13-8(12)6-3-2-5(6)7(11)4-10-9/h4-6H,2-3H2,1H3
InChIKeyWLQSOJATUJSGPK-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.06
Rot. Bonds3

About methyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate

methyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate (PubChem CID 54437342) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate
PubChem CID54437342
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate
SMILESCOC(=O)C1CCC1C(=O)C=[N+]=[N-]
InChIInChI=1S/C8H10N2O3/c1-13-8(12)6-3-2-5(6)7(11)4-10-9/h4-6H,2-3H2,1H3
InChIKeyWLQSOJATUJSGPK-UHFFFAOYSA-N
XLogP0.06
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.06
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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Related Compounds

2-diazo-1-[(1R,2R)-2-(2-diazoacetyl)cyclopropyl]ethanone
CID 11915801
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl 2-carbonochloridoylcyclobutane-1-carboxylate
CID 12809237
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208
cis-methyl (1S,2S)-2-formylcyclobutane-1-carboxylate
CID 93496244
3,4-bis(methoxycarbonyl)cyclohexane-1-carboxylic acid
CID 66983998
methyl 2-formylcyclobutane-1-carboxylate
CID 12721333
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
dimethyl 4-ethylcyclohexane-1,2-dicarboxylate
CID 123726982
cis-dimethyl (1R,2S)-4-methoxycyclopentane-1,2-dicarboxylate
CID 14489527
methyl (2S)-2-carbonochloridoylcyclopropane-1-carboxylate
CID 140893068

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate?
The IUPAC name of methyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate (CID 54437342) is methyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate?
The canonical SMILES for methyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate is COC(=O)C1CCC1C(=O)C=[N+]=[N-].
What is the InChIKey of methyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate?
The InChIKey is WLQSOJATUJSGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-13-8(12)6-3-2-5(6)7(11)4-10-9/h4-6H,2-3H2,1H3.
What are the key properties of methyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate?
methyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate has a molecular weight of 182.18 g/mol, XLogP of 0.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-diazoacetyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 54437342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).