(7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine

C9H10BrN3O — CID 71150596

IUPAC(7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine
SMILESNNC1=NCCOc2ccc(Br)cc21
InChIInChI=1S/C9H10BrN3O/c10-6-1-2-8-7(5-6)9(13-11)12-3-4-14-8/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyINPJLIMKNFCBFO-UHFFFAOYSA-N
MW256.10 g/mol
LogP1.05
Rot. Bonds

About (7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine

(7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine (PubChem CID 71150596) has the molecular formula C9H10BrN3O and a molecular weight of 256.10 g/mol. Its IUPAC name is (7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine.

Molecular Properties

Compound Name(7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine
PubChem CID71150596
Molecular FormulaC9H10BrN3O
Molecular Weight256.10 g/mol
Exact Mass255.00
IUPAC Name(7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine
SMILESNNC1=NCCOc2ccc(Br)cc21
InChIInChI=1S/C9H10BrN3O/c10-6-1-2-8-7(5-6)9(13-11)12-3-4-14-8/h1-2,5H,3-4,11H2,(H,12,13)
InChIKeyINPJLIMKNFCBFO-UHFFFAOYSA-N
XLogP1.05
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.10
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

7-bromo-5-methylidene-3,4-dihydro-2H-1,4-benzoxazepine
CID 144504371
(6-bromo-2H-1,4-benzoxazin-3-yl)hydrazine
CID 91619882
7-bromo-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one
CID 83853391
8-bromo-2,3-dihydro-1,4-benzoxazepine;chloromethane
CID 142375509
3-amino-6-bromo-2,3-dihydrochromen-4-one
CID 71390958
ethyl 7-bromo-5-oxo-3,4-dihydro-2H-1-benzoxepine-4-carboxylate
CID 82239917
9-bromo-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazole-3-carboxamide
CID 82252608
8-bromo-4H-chromeno[4,3-d][1,3]thiazol-2-amine
CID 23733727
11,12,24-tribromo-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9,11,13,23,25-hexaene
CID 6420336
10-bromo-3-iodo-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine-2-carboxamide
CID 86693191
11-bromo-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9(14),10,12,22,24-hexaene
CID 2724769
6-bromo-3-iodo-4-phenyl-2H-chromene
CID 139048251

Frequently Asked Questions

What is the IUPAC name of (7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine?
The IUPAC name of (7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine (CID 71150596) is (7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine.
What is the SMILES notation for (7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine?
The canonical SMILES for (7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine is NNC1=NCCOc2ccc(Br)cc21.
What is the InChIKey of (7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine?
The InChIKey is INPJLIMKNFCBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O/c10-6-1-2-8-7(5-6)9(13-11)12-3-4-14-8/h1-2,5H,3-4,11H2,(H,12,13).
What are the key properties of (7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine?
(7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine has a molecular weight of 256.10 g/mol, XLogP of 1.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-2,3-dihydro-1,4-benzoxazepin-5-yl)hydrazine is sourced from PubChem (CID 71150596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).