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

C12H17N3O — CID 63573779

IUPAC2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
SMILESNNC(=O)CN1CCCc2ccccc2C1
InChIInChI=1S/C12H17N3O/c13-14-12(16)9-15-7-3-6-10-4-1-2-5-11(10)8-15/h1-2,4-5H,3,6-9,13H2,(H,14,16)
InChIKeyCJPQQRAZFUBALI-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.42
Rot. Bonds2

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

2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide (PubChem CID 63573779) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
PubChem CID63573779
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
SMILESNNC(=O)CN1CCCc2ccccc2C1
InChIInChI=1S/C12H17N3O/c13-14-12(16)9-15-7-3-6-10-4-1-2-5-11(10)8-15/h1-2,4-5H,3,6-9,13H2,(H,14,16)
InChIKeyCJPQQRAZFUBALI-UHFFFAOYSA-N
XLogP0.42
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanehydrazide
CID 55213456
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetic acid
CID 54461030
methyl 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetate
CID 63152884
2-(3,4-dihydro-2H-quinolin-1-yl)acetohydrazide
CID 2327118
3,3-dimethyl-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-2-one
CID 63152667
3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butanehydrazide
CID 63573604
ethyl 4-oxo-5-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentanoate
CID 103484454
2-oxo-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide
CID 63153884
3-(1,3-dihydroisoindol-2-yl)propanehydrazide
CID 63572405
methyl 2-(propan-2-ylamino)-3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoate
CID 63153254
ethyl 3-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)propanoate
CID 63152972
2-(azonan-1-yl)acetohydrazide
CID 130750156

Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide?
The IUPAC name of 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide (CID 63573779) is 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide.
What is the SMILES notation for 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide?
The canonical SMILES for 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide is NNC(=O)CN1CCCc2ccccc2C1.
What is the InChIKey of 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide?
The InChIKey is CJPQQRAZFUBALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c13-14-12(16)9-15-7-3-6-10-4-1-2-5-11(10)8-15/h1-2,4-5H,3,6-9,13H2,(H,14,16).
What are the key properties of 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide?
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide has a molecular weight of 219.29 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetohydrazide is sourced from PubChem (CID 63573779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).