3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide

C14H15BrN2O2 — CID 4078623

IUPAC3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide
SMILESO=C(NNC(=O)C1CC=CCC1)c1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O2/c15-12-8-4-7-11(9-12)14(19)17-16-13(18)10-5-2-1-3-6-10/h1-2,4,7-10H,3,5-6H2,(H,16,18)(H,17,19)
InChIKeyFUBHTVBRAPZYBT-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.57
Rot. Bonds2

About 3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide

3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide (PubChem CID 4078623) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide
PubChem CID4078623
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide
SMILESO=C(NNC(=O)C1CC=CCC1)c1cccc(Br)c1
InChIInChI=1S/C14H15BrN2O2/c15-12-8-4-7-11(9-12)14(19)17-16-13(18)10-5-2-1-3-6-10/h1-2,4,7-10H,3,5-6H2,(H,16,18)(H,17,19)
InChIKeyFUBHTVBRAPZYBT-UHFFFAOYSA-N
XLogP2.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide?
The IUPAC name of 3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide (CID 4078623) is 3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide.
What is the SMILES notation for 3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide?
The canonical SMILES for 3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide is O=C(NNC(=O)C1CC=CCC1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide?
The InChIKey is FUBHTVBRAPZYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-12-8-4-7-11(9-12)14(19)17-16-13(18)10-5-2-1-3-6-10/h1-2,4,7-10H,3,5-6H2,(H,16,18)(H,17,19).
What are the key properties of 3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide?
3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide has a molecular weight of 323.19 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide is sourced from PubChem (CID 4078623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).