methyl N-(4-azidophenyl)carbamate

C8H8N4O2 — CID 142621312

IUPACmethyl N-(4-azidophenyl)carbamate
SMILESCOC(=O)Nc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C8H8N4O2/c1-14-8(13)10-6-2-4-7(5-3-6)11-12-9/h2-5H,1H3,(H,10,13)
InChIKeyVYFHNPZPWQTGCP-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.81
Rot. Bonds2

About methyl N-(4-azidophenyl)carbamate

methyl N-(4-azidophenyl)carbamate (PubChem CID 142621312) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is methyl N-(4-azidophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-azidophenyl)carbamate
PubChem CID142621312
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Namemethyl N-(4-azidophenyl)carbamate
SMILESCOC(=O)Nc1ccc(N=[N+]=[N-])cc1
InChIInChI=1S/C8H8N4O2/c1-14-8(13)10-6-2-4-7(5-3-6)11-12-9/h2-5H,1H3,(H,10,13)
InChIKeyVYFHNPZPWQTGCP-UHFFFAOYSA-N
XLogP2.81
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

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(4-azidophenyl)methyl N-(4-chlorophenyl)carbamate
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methyl N-(4-sulfanylphenyl)carbamate
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methyl N-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-azidophenyl)carbamate?
The IUPAC name of methyl N-(4-azidophenyl)carbamate (CID 142621312) is methyl N-(4-azidophenyl)carbamate.
What is the SMILES notation for methyl N-(4-azidophenyl)carbamate?
The canonical SMILES for methyl N-(4-azidophenyl)carbamate is COC(=O)Nc1ccc(N=[N+]=[N-])cc1.
What is the InChIKey of methyl N-(4-azidophenyl)carbamate?
The InChIKey is VYFHNPZPWQTGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-14-8(13)10-6-2-4-7(5-3-6)11-12-9/h2-5H,1H3,(H,10,13).
What are the key properties of methyl N-(4-azidophenyl)carbamate?
methyl N-(4-azidophenyl)carbamate has a molecular weight of 192.18 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-azidophenyl)carbamate is sourced from PubChem (CID 142621312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).