5-(2-bromophenyl)pentanehydrazide

C11H15BrN2O — CID 116843802

IUPAC5-(2-bromophenyl)pentanehydrazide
SMILESNNC(=O)CCCCc1ccccc1Br
InChIInChI=1S/C11H15BrN2O/c12-10-7-3-1-5-9(10)6-2-4-8-11(15)14-13/h1,3,5,7H,2,4,6,8,13H2,(H,14,15)
InChIKeySIXPDNKEWMVMMW-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.15
Rot. Bonds5

About 5-(2-bromophenyl)pentanehydrazide

5-(2-bromophenyl)pentanehydrazide (PubChem CID 116843802) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-(2-bromophenyl)pentanehydrazide.

Molecular Properties

Compound Name5-(2-bromophenyl)pentanehydrazide
PubChem CID116843802
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name5-(2-bromophenyl)pentanehydrazide
SMILESNNC(=O)CCCCc1ccccc1Br
InChIInChI=1S/C11H15BrN2O/c12-10-7-3-1-5-9(10)6-2-4-8-11(15)14-13/h1,3,5,7H,2,4,6,8,13H2,(H,14,15)
InChIKeySIXPDNKEWMVMMW-UHFFFAOYSA-N
XLogP2.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 5-(2-bromophenyl)pentanehydrazide?
The IUPAC name of 5-(2-bromophenyl)pentanehydrazide (CID 116843802) is 5-(2-bromophenyl)pentanehydrazide.
What is the SMILES notation for 5-(2-bromophenyl)pentanehydrazide?
The canonical SMILES for 5-(2-bromophenyl)pentanehydrazide is NNC(=O)CCCCc1ccccc1Br.
What is the InChIKey of 5-(2-bromophenyl)pentanehydrazide?
The InChIKey is SIXPDNKEWMVMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-10-7-3-1-5-9(10)6-2-4-8-11(15)14-13/h1,3,5,7H,2,4,6,8,13H2,(H,14,15).
What are the key properties of 5-(2-bromophenyl)pentanehydrazide?
5-(2-bromophenyl)pentanehydrazide has a molecular weight of 271.16 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)pentanehydrazide is sourced from PubChem (CID 116843802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).