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

C10H11N5O2 — CID 169462309

IUPAC2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline
SMILESCc1cc(C=CCN=[N+]=[N-])c(N)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N5O2/c1-7-5-8(3-2-4-13-14-12)10(11)9(6-7)15(16)17/h2-3,5-6H,4,11H2,1H3
InChIKeyHSHOGQSQEGICOW-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.81
Rot. Bonds4

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

2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline (PubChem CID 169462309) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline.

Molecular Properties

Compound Name2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline
PubChem CID169462309
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline
SMILESCc1cc(C=CCN=[N+]=[N-])c(N)c([N+](=O)[O-])c1
InChIInChI=1S/C10H11N5O2/c1-7-5-8(3-2-4-13-14-12)10(11)9(6-7)15(16)17/h2-3,5-6H,4,11H2,1H3
InChIKeyHSHOGQSQEGICOW-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

4-(3-azidoprop-1-enyl)-2-methyl-6-nitroaniline
CID 169462312
2-(3-azidoprop-1-enyl)-6-methyl-4-nitroaniline
CID 169462307
2-(3-azidoprop-1-enyl)-4,6-dimethylaniline
CID 169461771
2-(4-bromobut-1-enyl)-4-methyl-6-nitroaniline
CID 170498041
1-(3-azidoprop-1-enyl)-2-chloro-4-methoxy-5-nitrobenzene
CID 169462596
1-(3-azidoprop-1-enyl)-3-methyl-5-nitrobenzene
CID 169462162
5-(3-azidoprop-1-enyl)-3-nitropyridin-2-amine
CID 169462186
3-(3-azidoprop-1-enyl)-5-nitropyridin-2-amine
CID 169462185
5-(3-azidoprop-1-enyl)-4-methyl-3-nitro-1H-pyridin-2-one
CID 169462319
2-(3-azidoprop-1-enyl)-1-fluoro-4-nitrobenzene
CID 169462122
1-(3-azidoprop-1-enyl)-3,5-difluoro-2-nitrobenzene
CID 169462362
4-(3-azidoprop-1-enyl)-2-nitrobenzonitrile
CID 169462311

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline?
The IUPAC name of 2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline (CID 169462309) is 2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline.
What is the SMILES notation for 2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline?
The canonical SMILES for 2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline is Cc1cc(C=CCN=[N+]=[N-])c(N)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline?
The InChIKey is HSHOGQSQEGICOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-7-5-8(3-2-4-13-14-12)10(11)9(6-7)15(16)17/h2-3,5-6H,4,11H2,1H3.
What are the key properties of 2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline?
2-(3-azidoprop-1-enyl)-4-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 2-(3-azidoprop-1-enyl)-4-methyl-6-nitroaniline is sourced from PubChem (CID 169462309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).