(4-azidophenyl)methyl carbamate

C8H8N4O2 — CID 54368015

IUPAC(4-azidophenyl)methyl carbamate
SMILES[N-]=[N+]=Nc1ccc(COC(N)=O)cc1
InChIInChI=1S/C8H8N4O2/c9-8(13)14-5-6-1-3-7(4-2-6)11-12-10/h1-4H,5H2,(H2,9,13)
InChIKeyQDAKWNAHQJYOPU-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.22
Rot. Bonds3

About (4-azidophenyl)methyl carbamate

(4-azidophenyl)methyl carbamate (PubChem CID 54368015) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (4-azidophenyl)methyl carbamate.

Molecular Properties

Compound Name(4-azidophenyl)methyl carbamate
PubChem CID54368015
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name(4-azidophenyl)methyl carbamate
SMILES[N-]=[N+]=Nc1ccc(COC(N)=O)cc1
InChIInChI=1S/C8H8N4O2/c9-8(13)14-5-6-1-3-7(4-2-6)11-12-10/h1-4H,5H2,(H2,9,13)
InChIKeyQDAKWNAHQJYOPU-UHFFFAOYSA-N
XLogP2.22
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.22
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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Frequently Asked Questions

What is the IUPAC name of (4-azidophenyl)methyl carbamate?
The IUPAC name of (4-azidophenyl)methyl carbamate (CID 54368015) is (4-azidophenyl)methyl carbamate.
What is the SMILES notation for (4-azidophenyl)methyl carbamate?
The canonical SMILES for (4-azidophenyl)methyl carbamate is [N-]=[N+]=Nc1ccc(COC(N)=O)cc1.
What is the InChIKey of (4-azidophenyl)methyl carbamate?
The InChIKey is QDAKWNAHQJYOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-8(13)14-5-6-1-3-7(4-2-6)11-12-10/h1-4H,5H2,(H2,9,13).
What are the key properties of (4-azidophenyl)methyl carbamate?
(4-azidophenyl)methyl carbamate has a molecular weight of 192.18 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-azidophenyl)methyl carbamate is sourced from PubChem (CID 54368015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).