1-bromocyclobutane-1-carbohydrazide

C5H9BrN2O — CID 130652448

IUPAC1-bromocyclobutane-1-carbohydrazide
SMILESNNC(=O)C1(Br)CCC1
InChIInChI=1S/C5H9BrN2O/c6-5(2-1-3-5)4(9)8-7/h1-3,7H2,(H,8,9)
InChIKeyVJSKOJUFDUTBBD-UHFFFAOYSA-N
MW193.04 g/mol
LogP0.29
Rot. Bonds1

About 1-bromocyclobutane-1-carbohydrazide

1-bromocyclobutane-1-carbohydrazide (PubChem CID 130652448) has the molecular formula C5H9BrN2O and a molecular weight of 193.04 g/mol. Its IUPAC name is 1-bromocyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name1-bromocyclobutane-1-carbohydrazide
PubChem CID130652448
Molecular FormulaC5H9BrN2O
Molecular Weight193.04 g/mol
Exact Mass191.99
IUPAC Name1-bromocyclobutane-1-carbohydrazide
SMILESNNC(=O)C1(Br)CCC1
InChIInChI=1S/C5H9BrN2O/c6-5(2-1-3-5)4(9)8-7/h1-3,7H2,(H,8,9)
InChIKeyVJSKOJUFDUTBBD-UHFFFAOYSA-N
XLogP0.29
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.04
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-bromocyclobutane-1-carbohydrazide?
The IUPAC name of 1-bromocyclobutane-1-carbohydrazide (CID 130652448) is 1-bromocyclobutane-1-carbohydrazide.
What is the SMILES notation for 1-bromocyclobutane-1-carbohydrazide?
The canonical SMILES for 1-bromocyclobutane-1-carbohydrazide is NNC(=O)C1(Br)CCC1.
What is the InChIKey of 1-bromocyclobutane-1-carbohydrazide?
The InChIKey is VJSKOJUFDUTBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9BrN2O/c6-5(2-1-3-5)4(9)8-7/h1-3,7H2,(H,8,9).
What are the key properties of 1-bromocyclobutane-1-carbohydrazide?
1-bromocyclobutane-1-carbohydrazide has a molecular weight of 193.04 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromocyclobutane-1-carbohydrazide is sourced from PubChem (CID 130652448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).