2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide

C12H15N3O2 — CID 63153884

IUPAC2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
SMILESNNC(=O)C(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C12H15N3O2/c13-14-11(16)12(17)15-7-3-6-9-4-1-2-5-10(9)8-15/h1-2,4-5H,3,6-8,13H2,(H,14,16)
InChIKeyHFYZVJDNFSYVTM-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.05
Rot. Bonds

About 2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide

2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide (PubChem CID 63153884) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
PubChem CID63153884
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
SMILESNNC(=O)C(=O)N1CCCc2ccccc2C1
InChIInChI=1S/C12H15N3O2/c13-14-11(16)12(17)15-7-3-6-9-4-1-2-5-10(9)8-15/h1-2,4-5H,3,6-8,13H2,(H,14,16)
InChIKeyHFYZVJDNFSYVTM-UHFFFAOYSA-N
XLogP-0.05
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-piperazin-1-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethane-1,2-dione
CID 63153451
N-(2,2,2-trifluoroethyl)-1,3,4,5-tetrahydro-2-benzazepine-2-carboxamide
CID 115616978
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-N-propan-2-ylacetamide
CID 58790057
ethane;1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 143511825
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
CID 63573779
N-benzhydryl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108508045
N-cyclopentyl-2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoacetamide
CID 108505977
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-methylpiperazin-1-yl)-2-oxoacetamide
CID 108525679
2-(2-aminophenyl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63154719
(2-hydroxyphenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 63153618
3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonylamino)butanoic acid
CID 63153924
(2-amino-3-chlorophenyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 115540672

Frequently Asked Questions

What is the IUPAC name of 2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide?
The IUPAC name of 2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide (CID 63153884) is 2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide.
What is the SMILES notation for 2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide?
The canonical SMILES for 2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide is NNC(=O)C(=O)N1CCCc2ccccc2C1.
What is the InChIKey of 2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide?
The InChIKey is HFYZVJDNFSYVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c13-14-11(16)12(17)15-7-3-6-9-4-1-2-5-10(9)8-15/h1-2,4-5H,3,6-8,13H2,(H,14,16).
What are the key properties of 2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide?
2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide has a molecular weight of 233.27 g/mol, XLogP of -0.05, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide is sourced from PubChem (CID 63153884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).