azepan-1-yl-(4-hydrazinylphenyl)methanone

C13H19N3O — CID 62249723

IUPACazepan-1-yl-(4-hydrazinylphenyl)methanone
SMILESNNc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C13H19N3O/c14-15-12-7-5-11(6-8-12)13(17)16-9-3-1-2-4-10-16/h5-8,15H,1-4,9-10,14H2
InChIKeyYDLWXHFDHMIQEZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.99
Rot. Bonds2

About azepan-1-yl-(4-hydrazinylphenyl)methanone

azepan-1-yl-(4-hydrazinylphenyl)methanone (PubChem CID 62249723) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is azepan-1-yl-(4-hydrazinylphenyl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(4-hydrazinylphenyl)methanone
PubChem CID62249723
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Nameazepan-1-yl-(4-hydrazinylphenyl)methanone
SMILESNNc1ccc(C(=O)N2CCCCCC2)cc1
InChIInChI=1S/C13H19N3O/c14-15-12-7-5-11(6-8-12)13(17)16-9-3-1-2-4-10-16/h5-8,15H,1-4,9-10,14H2
InChIKeyYDLWXHFDHMIQEZ-UHFFFAOYSA-N
XLogP1.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.99
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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Related Compounds

[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
[4-(hydroxyamino)phenyl]-piperidin-1-ylmethanone
CID 155525147
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
(4-aminophenyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669539
(4-piperidin-1-ylphenyl)-pyrrolidin-1-ylmethanone
CID 21366931
1-(azepan-1-yl)-2-[4-(piperidine-1-carbonyl)anilino]ethanone
CID 54841440
4-(pyrrolidine-1-carbonyl)benzoic acid
CID 10932939
4-(azocane-1-carbonyl)benzenecarbothioamide
CID 28801480
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119278060
azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642343

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(4-hydrazinylphenyl)methanone?
The IUPAC name of azepan-1-yl-(4-hydrazinylphenyl)methanone (CID 62249723) is azepan-1-yl-(4-hydrazinylphenyl)methanone.
What is the SMILES notation for azepan-1-yl-(4-hydrazinylphenyl)methanone?
The canonical SMILES for azepan-1-yl-(4-hydrazinylphenyl)methanone is NNc1ccc(C(=O)N2CCCCCC2)cc1.
What is the InChIKey of azepan-1-yl-(4-hydrazinylphenyl)methanone?
The InChIKey is YDLWXHFDHMIQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-15-12-7-5-11(6-8-12)13(17)16-9-3-1-2-4-10-16/h5-8,15H,1-4,9-10,14H2.
What are the key properties of azepan-1-yl-(4-hydrazinylphenyl)methanone?
azepan-1-yl-(4-hydrazinylphenyl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(4-hydrazinylphenyl)methanone is sourced from PubChem (CID 62249723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).