2-methylpropyl N-diazocarbamate

C5H9N3O2 — CID 14709952

IUPAC2-methylpropyl N-diazocarbamate
SMILESCC(C)COC(=O)N=[N+]=[N-]
InChIInChI=1S/C5H9N3O2/c1-4(2)3-10-5(9)7-8-6/h4H,3H2,1-2H3
InChIKeyDPISNJWYWHJJLV-UHFFFAOYSA-N
MW143.15 g/mol
LogP2.09
Rot. Bonds2

About 2-methylpropyl N-diazocarbamate

2-methylpropyl N-diazocarbamate (PubChem CID 14709952) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is 2-methylpropyl N-diazocarbamate.

Molecular Properties

Compound Name2-methylpropyl N-diazocarbamate
PubChem CID14709952
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Name2-methylpropyl N-diazocarbamate
SMILESCC(C)COC(=O)N=[N+]=[N-]
InChIInChI=1S/C5H9N3O2/c1-4(2)3-10-5(9)7-8-6/h4H,3H2,1-2H3
InChIKeyDPISNJWYWHJJLV-UHFFFAOYSA-N
XLogP2.09
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze 2-methylpropyl N-diazocarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-diazocarbamate?
The IUPAC name of 2-methylpropyl N-diazocarbamate (CID 14709952) is 2-methylpropyl N-diazocarbamate.
What is the SMILES notation for 2-methylpropyl N-diazocarbamate?
The canonical SMILES for 2-methylpropyl N-diazocarbamate is CC(C)COC(=O)N=[N+]=[N-].
What is the InChIKey of 2-methylpropyl N-diazocarbamate?
The InChIKey is DPISNJWYWHJJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-4(2)3-10-5(9)7-8-6/h4H,3H2,1-2H3.
What are the key properties of 2-methylpropyl N-diazocarbamate?
2-methylpropyl N-diazocarbamate has a molecular weight of 143.15 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-diazocarbamate is sourced from PubChem (CID 14709952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).