2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone

C13H17N3O — CID 62248377

IUPAC2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone
SMILESNNc1ccc(C(=O)N2CC3CCC2C3)cc1
InChIInChI=1S/C13H17N3O/c14-15-11-4-2-10(3-5-11)13(17)16-8-9-1-6-12(16)7-9/h2-5,9,12,15H,1,6-8,14H2
InChIKeyZVZBESFMRJEKOH-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.60
Rot. Bonds2

About 2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone

2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone (PubChem CID 62248377) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone
PubChem CID62248377
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone
SMILESNNc1ccc(C(=O)N2CC3CCC2C3)cc1
InChIInChI=1S/C13H17N3O/c14-15-11-4-2-10(3-5-11)13(17)16-8-9-1-6-12(16)7-9/h2-5,9,12,15H,1,6-8,14H2
InChIKeyZVZBESFMRJEKOH-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone?
The IUPAC name of 2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone (CID 62248377) is 2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone?
The canonical SMILES for 2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone is NNc1ccc(C(=O)N2CC3CCC2C3)cc1.
What is the InChIKey of 2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone?
The InChIKey is ZVZBESFMRJEKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-15-11-4-2-10(3-5-11)13(17)16-8-9-1-6-12(16)7-9/h2-5,9,12,15H,1,6-8,14H2.
What are the key properties of 2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone?
2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone has a molecular weight of 231.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptan-2-yl-(4-hydrazinylphenyl)methanone is sourced from PubChem (CID 62248377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).