(1-bromocyclohexa-2,4-dien-1-yl)hydrazine

C6H9BrN2 — CID 171662498

IUPAC(1-bromocyclohexa-2,4-dien-1-yl)hydrazine
SMILESNNC1(Br)C=CC=CC1
InChIInChI=1S/C6H9BrN2/c7-6(9-8)4-2-1-3-5-6/h1-4,9H,5,8H2
InChIKeyVCMAQXQXGGARGU-UHFFFAOYSA-N
MW189.06 g/mol
LogP1.06
Rot. Bonds1

About (1-bromocyclohexa-2,4-dien-1-yl)hydrazine

(1-bromocyclohexa-2,4-dien-1-yl)hydrazine (PubChem CID 171662498) has the molecular formula C6H9BrN2 and a molecular weight of 189.06 g/mol. Its IUPAC name is (1-bromocyclohexa-2,4-dien-1-yl)hydrazine.

Molecular Properties

Compound Name(1-bromocyclohexa-2,4-dien-1-yl)hydrazine
PubChem CID171662498
Molecular FormulaC6H9BrN2
Molecular Weight189.06 g/mol
Exact Mass187.99
IUPAC Name(1-bromocyclohexa-2,4-dien-1-yl)hydrazine
SMILESNNC1(Br)C=CC=CC1
InChIInChI=1S/C6H9BrN2/c7-6(9-8)4-2-1-3-5-6/h1-4,9H,5,8H2
InChIKeyVCMAQXQXGGARGU-UHFFFAOYSA-N
XLogP1.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.06
LogP ≤ 51.06
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': 'N-C-halo', '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 (1-bromocyclohexa-2,4-dien-1-yl)hydrazine?
The IUPAC name of (1-bromocyclohexa-2,4-dien-1-yl)hydrazine (CID 171662498) is (1-bromocyclohexa-2,4-dien-1-yl)hydrazine.
What is the SMILES notation for (1-bromocyclohexa-2,4-dien-1-yl)hydrazine?
The canonical SMILES for (1-bromocyclohexa-2,4-dien-1-yl)hydrazine is NNC1(Br)C=CC=CC1.
What is the InChIKey of (1-bromocyclohexa-2,4-dien-1-yl)hydrazine?
The InChIKey is VCMAQXQXGGARGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2/c7-6(9-8)4-2-1-3-5-6/h1-4,9H,5,8H2.
What are the key properties of (1-bromocyclohexa-2,4-dien-1-yl)hydrazine?
(1-bromocyclohexa-2,4-dien-1-yl)hydrazine has a molecular weight of 189.06 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromocyclohexa-2,4-dien-1-yl)hydrazine is sourced from PubChem (CID 171662498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).