(3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine

C5H9ClN2 — CID 171036263

IUPAC(3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine
SMILESNNC12CC(Cl)(C1)C2
InChIInChI=1S/C5H9ClN2/c6-4-1-5(2-4,3-4)8-7/h8H,1-3,7H2
InChIKeyGLCWGMWZSXMKQM-UHFFFAOYSA-N
MW132.59 g/mol
LogP0.36
Rot. Bonds1

About (3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine

(3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine (PubChem CID 171036263) has the molecular formula C5H9ClN2 and a molecular weight of 132.59 g/mol. Its IUPAC name is (3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine.

Molecular Properties

Compound Name(3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine
PubChem CID171036263
Molecular FormulaC5H9ClN2
Molecular Weight132.59 g/mol
Exact Mass132.05
IUPAC Name(3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine
SMILESNNC12CC(Cl)(C1)C2
InChIInChI=1S/C5H9ClN2/c6-4-1-5(2-4,3-4)8-7/h8H,1-3,7H2
InChIKeyGLCWGMWZSXMKQM-UHFFFAOYSA-N
XLogP0.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.59
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 (3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine?
The IUPAC name of (3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine (CID 171036263) is (3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine.
What is the SMILES notation for (3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine?
The canonical SMILES for (3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine is NNC12CC(Cl)(C1)C2.
What is the InChIKey of (3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine?
The InChIKey is GLCWGMWZSXMKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9ClN2/c6-4-1-5(2-4,3-4)8-7/h8H,1-3,7H2.
What are the key properties of (3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine?
(3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine has a molecular weight of 132.59 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-1-bicyclo[1.1.1]pentanyl)hydrazine is sourced from PubChem (CID 171036263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).