(2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene

C16H19N5O6 — CID 72767288

IUPAC(2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene
SMILESCC1(C)C2CCC1(C)C(/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])([N+](=O)[O-])C2
InChIInChI=1S/C16H19N5O6/c1-14(2)10-6-7-15(14,3)16(9-10,21(26)27)18-17-12-5-4-11(19(22)23)8-13(12)20(24)25/h4-5,8,10H,6-7,9H2,1-3H3/b18-17+
InChIKeyUYUKKNCOVQDSGZ-ISLYRVAYSA-N
MW377.36 g/mol
LogP4.41
Rot. Bonds5

About (2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene

(2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene (PubChem CID 72767288) has the molecular formula C16H19N5O6 and a molecular weight of 377.36 g/mol. Its IUPAC name is (2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene.

Molecular Properties

Compound Name(2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene
PubChem CID72767288
Molecular FormulaC16H19N5O6
Molecular Weight377.36 g/mol
Exact Mass377.13
IUPAC Name(2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene
SMILESCC1(C)C2CCC1(C)C(/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])([N+](=O)[O-])C2
InChIInChI=1S/C16H19N5O6/c1-14(2)10-6-7-15(14,3)16(9-10,21(26)27)18-17-12-5-4-11(19(22)23)8-13(12)20(24)25/h4-5,8,10H,6-7,9H2,1-3H3/b18-17+
InChIKeyUYUKKNCOVQDSGZ-ISLYRVAYSA-N
XLogP4.41
TPSA154.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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'}

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Related Compounds

(2,4-dinitrophenyl)-(1-ethenylcyclohexyl)diazene
CID 15129643
(2,4-dinitrophenyl)-(4-fluoro-3-nitrophenyl)diazene
CID 102292228
2,4-dinitro-N-[(Z)-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]aniline
CID 7188935
(2,4-dinitrophenyl)-(2-methylbut-3-en-2-yl)diazene
CID 15129640
4-[(2,4-dinitrophenyl)diazenyl]-2,6-dimethylphenol
CID 136728959
2,4-dinitro-N-[(Z)-[(1S,5R)-1,8,8-trimethyl-2-bicyclo[3.2.1]octanylidene]amino]aniline
CID 23376292
N'-(2,4-dinitrophenyl)methanimidamide
CID 89273511
2,3-dimethylbuta-1,3-dienyl-(2,4-dinitrophenyl)diazene
CID 131880074
2-(2,4-dinitrophenyl)iminopropanoic acid
CID 71372052
1,2,7,7-tetramethylbicyclo[2.2.1]heptan-2-amine
CID 139833586
methyl 3-[(2,4-dinitrophenyl)diazenyl]butanoate
CID 91435409
10-[(2,4-dinitrophenyl)diazenyl]anthracen-9-ol
CID 136691071

Frequently Asked Questions

What is the IUPAC name of (2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene?
The IUPAC name of (2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene (CID 72767288) is (2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene.
What is the SMILES notation for (2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene?
The canonical SMILES for (2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene is CC1(C)C2CCC1(C)C(/N=N/c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])([N+](=O)[O-])C2.
What is the InChIKey of (2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene?
The InChIKey is UYUKKNCOVQDSGZ-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H19N5O6/c1-14(2)10-6-7-15(14,3)16(9-10,21(26)27)18-17-12-5-4-11(19(22)23)8-13(12)20(24)25/h4-5,8,10H,6-7,9H2,1-3H3/b18-17+.
What are the key properties of (2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene?
(2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene has a molecular weight of 377.36 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dinitrophenyl)-(1,7,7-trimethyl-2-nitro-2-bicyclo[2.2.1]heptanyl)diazene is sourced from PubChem (CID 72767288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).