(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine

C11H16N2O2 — CID 82241529

IUPAC(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
SMILESCOc1ccc2c(c1)C(NN)CCCO2
InChIInChI=1S/C11H16N2O2/c1-14-8-4-5-11-9(7-8)10(13-12)3-2-6-15-11/h4-5,7,10,13H,2-3,6,12H2,1H3
InChIKeyWEQDDLVQTLIYCH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.37
Rot. Bonds2

About (7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine

(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine (PubChem CID 82241529) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine.

Molecular Properties

Compound Name(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
PubChem CID82241529
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine
SMILESCOc1ccc2c(c1)C(NN)CCCO2
InChIInChI=1S/C11H16N2O2/c1-14-8-4-5-11-9(7-8)10(13-12)3-2-6-15-11/h4-5,7,10,13H,2-3,6,12H2,1H3
InChIKeyWEQDDLVQTLIYCH-UHFFFAOYSA-N
XLogP1.37
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.37
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-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 43153234
7-methoxy-N-prop-2-enyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 119034586
N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 126780788
2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 110479192
2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 110479797
[(1S,2R)-2-[[(5R)-7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]amino]cyclopentyl]methanol
CID 97063859
[(1R,4S)-4-[(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]cyclopent-2-en-1-yl]methanol
CID 86787520
6-methoxy-N-[(2-methylpropan-2-yl)oxy]-3,4-dihydro-2H-chromen-4-amine
CID 82720276
7-methoxy-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 84588988
6-methoxy-N-(2-methoxyethyl)-3,4-dihydro-2H-chromen-4-amine
CID 43756306
7-methoxy-N-(3-pyrazol-1-ylpropyl)-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 75382563
5-methoxy-N-propan-2-yl-2,3-dihydro-1-benzofuran-3-amine
CID 43511932

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine?
The IUPAC name of (7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine (CID 82241529) is (7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine.
What is the SMILES notation for (7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine?
The canonical SMILES for (7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine is COc1ccc2c(c1)C(NN)CCCO2.
What is the InChIKey of (7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine?
The InChIKey is WEQDDLVQTLIYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-14-8-4-5-11-9(7-8)10(13-12)3-2-6-15-11/h4-5,7,10,13H,2-3,6,12H2,1H3.
What are the key properties of (7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine?
(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine has a molecular weight of 208.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)hydrazine is sourced from PubChem (CID 82241529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).