5-(3-azidoprop-1-enyl)isoindole-1,3-dione

C11H8N4O2 — CID 169462453

IUPAC5-(3-azidoprop-1-enyl)isoindole-1,3-dione
SMILES[N-]=[N+]=NCC=Cc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C11H8N4O2/c12-15-13-5-1-2-7-3-4-8-9(6-7)11(17)14-10(8)16/h1-4,6H,5H2,(H,14,16,17)
InChIKeyHHCMCJBPEVJXQF-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.89
Rot. Bonds3

About 5-(3-azidoprop-1-enyl)isoindole-1,3-dione

5-(3-azidoprop-1-enyl)isoindole-1,3-dione (PubChem CID 169462453) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 5-(3-azidoprop-1-enyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-(3-azidoprop-1-enyl)isoindole-1,3-dione
PubChem CID169462453
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name5-(3-azidoprop-1-enyl)isoindole-1,3-dione
SMILES[N-]=[N+]=NCC=Cc1ccc2c(c1)C(=O)NC2=O
InChIInChI=1S/C11H8N4O2/c12-15-13-5-1-2-7-3-4-8-9(6-7)11(17)14-10(8)16/h1-4,6H,5H2,(H,14,16,17)
InChIKeyHHCMCJBPEVJXQF-UHFFFAOYSA-N
XLogP1.89
TPSA94.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.89
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': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(3-azidoprop-1-enyl)-2,3-dihydroinden-1-one
CID 169461900
5-(3-azidoprop-1-enyl)-3H-2-benzofuran-1-one
CID 169461898
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
6-(4-azidobut-1-enyl)-1H-indole-2,3-dione
CID 170486018
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
5-(3-azidoprop-1-enyl)-2,2-difluoro-1,3-benzodioxole
CID 169462408
5-(3-azidoprop-1-enyl)-1H-indole
CID 169461878
N-[3-(1,3-dioxoisoindol-5-yl)prop-2-enyl]acetamide
CID 169466209
1-(3-azidoprop-1-enyl)-4-chlorobenzene
CID 141280694
1-[3-(3-azidoprop-1-enyl)phenyl]pyrrolidine
CID 169462444
4-(3-azidoprop-1-enyl)-1-chloro-2-(chloromethyl)benzene
CID 169461583
5-(3-azidoprop-1-enyl)-1-benzofuran
CID 169461862

Frequently Asked Questions

What is the IUPAC name of 5-(3-azidoprop-1-enyl)isoindole-1,3-dione?
The IUPAC name of 5-(3-azidoprop-1-enyl)isoindole-1,3-dione (CID 169462453) is 5-(3-azidoprop-1-enyl)isoindole-1,3-dione.
What is the SMILES notation for 5-(3-azidoprop-1-enyl)isoindole-1,3-dione?
The canonical SMILES for 5-(3-azidoprop-1-enyl)isoindole-1,3-dione is [N-]=[N+]=NCC=Cc1ccc2c(c1)C(=O)NC2=O.
What is the InChIKey of 5-(3-azidoprop-1-enyl)isoindole-1,3-dione?
The InChIKey is HHCMCJBPEVJXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c12-15-13-5-1-2-7-3-4-8-9(6-7)11(17)14-10(8)16/h1-4,6H,5H2,(H,14,16,17).
What are the key properties of 5-(3-azidoprop-1-enyl)isoindole-1,3-dione?
5-(3-azidoprop-1-enyl)isoindole-1,3-dione has a molecular weight of 228.21 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-azidoprop-1-enyl)isoindole-1,3-dione is sourced from PubChem (CID 169462453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).