methyl 2-diazo-5-phenylpentanoate

C12H14N2O2 — CID 74317102

IUPACmethyl 2-diazo-5-phenylpentanoate
SMILESCOC(=O)C(CCCc1ccccc1)=[N+]=[N-]
InChIInChI=1S/C12H14N2O2/c1-16-12(15)11(14-13)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyGGCJHYCJASBWIL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.85
Rot. Bonds5

About methyl 2-diazo-5-phenylpentanoate

methyl 2-diazo-5-phenylpentanoate (PubChem CID 74317102) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is methyl 2-diazo-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl 2-diazo-5-phenylpentanoate
PubChem CID74317102
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Namemethyl 2-diazo-5-phenylpentanoate
SMILESCOC(=O)C(CCCc1ccccc1)=[N+]=[N-]
InChIInChI=1S/C12H14N2O2/c1-16-12(15)11(14-13)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3
InChIKeyGGCJHYCJASBWIL-UHFFFAOYSA-N
XLogP1.85
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.85
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

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CID 12701554
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2-diazo-4-phenylbutanoic acid
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methyl 2-diazo-6-naphthalen-2-yl-6-oxohexanoate
CID 164687198
methyl 2-diazo-2-[2-(2-phenylethyl)phenyl]acetate
CID 101211174
5-phenylpentan-2-one
CID 16701
1-(methylamino)-7-phenylheptan-4-one
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(3-diazo-3-dimethoxyphosphorylpropyl)benzene
CID 24975952
1,9-diphenylnonan-5-one
CID 23467830
methyl (E)-2-methyl-7-phenylhept-2-enoate
CID 10911424
benzyl 5-(4-methoxyphenyl)-2-oxopentanoate
CID 18370787

Frequently Asked Questions

What is the IUPAC name of methyl 2-diazo-5-phenylpentanoate?
The IUPAC name of methyl 2-diazo-5-phenylpentanoate (CID 74317102) is methyl 2-diazo-5-phenylpentanoate.
What is the SMILES notation for methyl 2-diazo-5-phenylpentanoate?
The canonical SMILES for methyl 2-diazo-5-phenylpentanoate is COC(=O)C(CCCc1ccccc1)=[N+]=[N-].
What is the InChIKey of methyl 2-diazo-5-phenylpentanoate?
The InChIKey is GGCJHYCJASBWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-12(15)11(14-13)9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of methyl 2-diazo-5-phenylpentanoate?
methyl 2-diazo-5-phenylpentanoate has a molecular weight of 218.26 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-diazo-5-phenylpentanoate is sourced from PubChem (CID 74317102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).