benzyl 2-diazopropanoate

C10H10N2O2 — CID 74976209

IUPACbenzyl 2-diazopropanoate
SMILESCC(=[N+]=[N-])C(=O)OCc1ccccc1
InChIInChI=1S/C10H10N2O2/c1-8(12-11)10(13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyDNIHYHQSMXFCEK-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.42
Rot. Bonds3

About benzyl 2-diazopropanoate

benzyl 2-diazopropanoate (PubChem CID 74976209) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is benzyl 2-diazopropanoate.

Molecular Properties

Compound Namebenzyl 2-diazopropanoate
PubChem CID74976209
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Namebenzyl 2-diazopropanoate
SMILESCC(=[N+]=[N-])C(=O)OCc1ccccc1
InChIInChI=1S/C10H10N2O2/c1-8(12-11)10(13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyDNIHYHQSMXFCEK-UHFFFAOYSA-N
XLogP1.42
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-diazopropanoate?
The IUPAC name of benzyl 2-diazopropanoate (CID 74976209) is benzyl 2-diazopropanoate.
What is the SMILES notation for benzyl 2-diazopropanoate?
The canonical SMILES for benzyl 2-diazopropanoate is CC(=[N+]=[N-])C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-diazopropanoate?
The InChIKey is DNIHYHQSMXFCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-8(12-11)10(13)14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3.
What are the key properties of benzyl 2-diazopropanoate?
benzyl 2-diazopropanoate has a molecular weight of 190.20 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-diazopropanoate is sourced from PubChem (CID 74976209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).