(2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene

C14H16N4O4 — CID 15129643

IUPAC(2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene
SMILESC=CC1(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCCC1
InChIInChI=1S/C14H16N4O4/c1-2-14(8-4-3-5-9-14)16-15-12-7-6-11(17(19)20)10-13(12)18(21)22/h2,6-7,10H,1,3-5,8-9H2/b16-15+
InChIKeyUPSARJNWPQKXJO-FOCLMDBBSA-N
MW304.31 g/mol
LogP4.48
Rot. Bonds5

About (2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene

(2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene (PubChem CID 15129643) has the molecular formula C14H16N4O4 and a molecular weight of 304.31 g/mol. Its IUPAC name is (2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene.

Molecular Properties

Compound Name(2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene
PubChem CID15129643
Molecular FormulaC14H16N4O4
Molecular Weight304.31 g/mol
Exact Mass304.12
IUPAC Name(2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene
SMILESC=CC1(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCCC1
InChIInChI=1S/C14H16N4O4/c1-2-14(8-4-3-5-9-14)16-15-12-7-6-11(17(19)20)10-13(12)18(21)22/h2,6-7,10H,1,3-5,8-9H2/b16-15+
InChIKeyUPSARJNWPQKXJO-FOCLMDBBSA-N
XLogP4.48
TPSA111.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene?
The IUPAC name of (2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene (CID 15129643) is (2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene.
What is the SMILES notation for (2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene?
The canonical SMILES for (2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene is C=CC1(/N=N/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCCC1.
What is the InChIKey of (2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene?
The InChIKey is UPSARJNWPQKXJO-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H16N4O4/c1-2-14(8-4-3-5-9-14)16-15-12-7-6-11(17(19)20)10-13(12)18(21)22/h2,6-7,10H,1,3-5,8-9H2/b16-15+.
What are the key properties of (2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene?
(2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene has a molecular weight of 304.31 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene is sourced from PubChem (CID 15129643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).