1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene

C10H10N4O2 — CID 169462162

IUPAC1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene
SMILESCc1cc(C=CCN=[N+]=[N-])cc([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O2/c1-8-5-9(3-2-4-12-13-11)7-10(6-8)14(15)16/h2-3,5-7H,4H2,1H3
InChIKeySTNZVKDQBDDLMI-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.23
Rot. Bonds4

About 1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene

1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene (PubChem CID 169462162) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene.

Molecular Properties

Compound Name1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene
PubChem CID169462162
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene
SMILESCc1cc(C=CCN=[N+]=[N-])cc([N+](=O)[O-])c1
InChIInChI=1S/C10H10N4O2/c1-8-5-9(3-2-4-12-13-11)7-10(6-8)14(15)16/h2-3,5-7H,4H2,1H3
InChIKeySTNZVKDQBDDLMI-UHFFFAOYSA-N
XLogP3.23
TPSA91.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.23
H-Bond Donors ≤ 50
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-methyl-5-nitrophenyl)prop-2-en-1-ol
CID 169453704
4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline
CID 169462312
2-(3-azidoprop-1-enyl)-6-methyl-4-nitroaniline
CID 169462307
4-(3-methyl-5-nitrophenyl)but-3-en-1-ol
CID 170477002
2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline
CID 169462309
2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene
CID 169462122
3-(4-azidobut-1-enyl)-5-nitrobenzonitrile
CID 170485877
5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine
CID 169462186
4-(3-azidoprop-1-enyl)-2-nitrobenzonitrile
CID 169462311
3-(3-azidoprop-1-enyl)-5-nitropyridin-2-amine
CID 169462185
methyl 2-(3-azidoprop-1-enyl)-5-nitrobenzoate
CID 169462624
1-(3-azidoprop-1-enyl)-3,5-difluoro-2-nitrobenzene
CID 169462362

Frequently Asked Questions

What is the IUPAC name of 1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene?
The IUPAC name of 1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene (CID 169462162) is 1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene.
What is the SMILES notation for 1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene?
The canonical SMILES for 1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene is Cc1cc(C=CCN=[N+]=[N-])cc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene?
The InChIKey is STNZVKDQBDDLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c1-8-5-9(3-2-4-12-13-11)7-10(6-8)14(15)16/h2-3,5-7H,4H2,1H3.
What are the key properties of 1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene?
1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene has a molecular weight of 218.22 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene is sourced from PubChem (CID 169462162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).