(8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine

C12H18N2O — CID 82241454

IUPAC(8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
SMILESCc1ccc2c(c1C)OCCCC2NN
InChIInChI=1S/C12H18N2O/c1-8-5-6-10-11(14-13)4-3-7-15-12(10)9(8)2/h5-6,11,14H,3-4,7,13H2,1-2H3
InChIKeyKRUIPQVHITTWFY-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.98
Rot. Bonds1

About (8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine

(8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine (PubChem CID 82241454) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine.

Molecular Properties

Compound Name(8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
PubChem CID82241454
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
SMILESCc1ccc2c(c1C)OCCCC2NN
InChIInChI=1S/C12H18N2O/c1-8-5-6-10-11(14-13)4-3-7-15-12(10)9(8)2/h5-6,11,14H,3-4,7,13H2,1-2H3
InChIKeyKRUIPQVHITTWFY-UHFFFAOYSA-N
XLogP1.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.98
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 (8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine?
The IUPAC name of (8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine (CID 82241454) is (8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine.
What is the SMILES notation for (8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine?
The canonical SMILES for (8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine is Cc1ccc2c(c1C)OCCCC2NN.
What is the InChIKey of (8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine?
The InChIKey is KRUIPQVHITTWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-8-5-6-10-11(14-13)4-3-7-15-12(10)9(8)2/h5-6,11,14H,3-4,7,13H2,1-2H3.
What are the key properties of (8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine?
(8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine has a molecular weight of 206.29 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8,9-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine is sourced from PubChem (CID 82241454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).