4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline

C10H11N5O2 — CID 169462312

IUPAC4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline
SMILESCc1cc(C=CCN=[N+]=[N-])cc([N+](=O)[O-])c1N
InChIInChI=1S/C10H11N5O2/c1-7-5-8(3-2-4-13-14-12)6-9(10(7)11)15(16)17/h2-3,5-6H,4,11H2,1H3
InChIKeyPZGWBENWZXXVHA-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.81
Rot. Bonds4

About 4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline

4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline (PubChem CID 169462312) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline.

Molecular Properties

Compound Name4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline
PubChem CID169462312
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline
SMILESCc1cc(C=CCN=[N+]=[N-])cc([N+](=O)[O-])c1N
InChIInChI=1S/C10H11N5O2/c1-7-5-8(3-2-4-13-14-12)6-9(10(7)11)15(16)17/h2-3,5-6H,4,11H2,1H3
InChIKeyPZGWBENWZXXVHA-UHFFFAOYSA-N
XLogP2.81
TPSA117.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline
CID 169462309
5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine
CID 169462186
2-(3-azidoprop-1-enyl)-6-methyl-4-nitroaniline
CID 169462307
1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene
CID 169462162
4-(3-azidoprop-1-enyl)-2-nitrobenzonitrile
CID 169462311
4-(4-azidobut-1-enyl)-1-methyl-2-nitrobenzene
CID 170485717
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
2-(3-azidoprop-1-enyl)-4,6-dimethylaniline
CID 169461771
1-(3-azidoprop-1-enyl)-2-chloro-4-methoxy-5-nitrobenzene
CID 169462596
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
5-(3-azidoprop-1-enyl)-2-methylpyridin-3-amine
CID 169461419
4-(4-azidobut-1-enyl)-3-nitrobenzaldehyde
CID 170485947

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline?
The IUPAC name of 4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline (CID 169462312) is 4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline.
What is the SMILES notation for 4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline?
The canonical SMILES for 4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline is Cc1cc(C=CCN=[N+]=[N-])cc([N+](=O)[O-])c1N.
What is the InChIKey of 4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline?
The InChIKey is PZGWBENWZXXVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-7-5-8(3-2-4-13-14-12)6-9(10(7)11)15(16)17/h2-3,5-6H,4,11H2,1H3.
What are the key properties of 4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline?
4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline has a molecular weight of 233.23 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline is sourced from PubChem (CID 169462312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).