2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene

C14H21ClN2 — CID 21387404

IUPAC2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene
SMILESClC1(/N=N/C2CC3CCC2C3)CC2CCC1C2
InChIInChI=1S/C14H21ClN2/c15-14(8-10-2-4-12(14)6-10)17-16-13-7-9-1-3-11(13)5-9/h9-13H,1-8H2/b17-16+
InChIKeyHVYLCPSLWSPZJM-WUKNDPDISA-N
MW252.79 g/mol
LogP4.38
Rot. Bonds2

About 2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene

2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene (PubChem CID 21387404) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene.

Molecular Properties

Compound Name2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene
PubChem CID21387404
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene
SMILESClC1(/N=N/C2CC3CCC2C3)CC2CCC1C2
InChIInChI=1S/C14H21ClN2/c15-14(8-10-2-4-12(14)6-10)17-16-13-7-9-1-3-11(13)5-9/h9-13H,1-8H2/b17-16+
InChIKeyHVYLCPSLWSPZJM-WUKNDPDISA-N
XLogP4.38
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-bicyclo[2.2.1]heptanyl-(2-methoxy-2-bicyclo[2.2.1]heptanyl)diazene
CID 21387271
(1S,4R)-2-isothiocyanatobicyclo[2.2.1]heptane
CID 56845501
(1S,2S,4R)-2-isothiocyanatobicyclo[2.2.1]heptane
CID 11869712
2-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbicyclo[2.2.1]heptane
CID 19890420
spiro[bicyclo[2.2.1]heptane-2,1'-cyclobutane]
CID 22273219
[2-(2-bicyclo[2.2.1]heptanylmethyl)-2-bicyclo[2.2.1]heptanyl]methanol
CID 79550553
spiro[bicyclo[2.2.1]heptane-2,1'-cycloheptane]
CID 86249645
(1S,2S,4R)-2-chlorobicyclo[2.2.1]heptane-2-carboxylate
CID 11887748
(1R,2S,4S)-2-chlorobicyclo[2.2.1]heptane-2-carboxylate
CID 11887750
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
[(2R)-2-methyl-2-bicyclo[2.2.1]heptanyl] bicyclo[2.2.1]heptane-2-carboxylate
CID 134285849
(1S,2S,4R)-2-methylbicyclo[2.2.1]heptan-2-amine
CID 131148084

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene?
The IUPAC name of 2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene (CID 21387404) is 2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene.
What is the SMILES notation for 2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene?
The canonical SMILES for 2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene is ClC1(/N=N/C2CC3CCC2C3)CC2CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene?
The InChIKey is HVYLCPSLWSPZJM-WUKNDPDISA-N. The full InChI is InChI=1S/C14H21ClN2/c15-14(8-10-2-4-12(14)6-10)17-16-13-7-9-1-3-11(13)5-9/h9-13H,1-8H2/b17-16+.
What are the key properties of 2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene?
2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene has a molecular weight of 252.79 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]heptanyl-(2-chloro-2-bicyclo[2.2.1]heptanyl)diazene is sourced from PubChem (CID 21387404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).