[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine

C18H22N2O — CID 105191501

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine
SMILESNNC(CCOc1ccccc1)CC1Cc2ccccc21
InChIInChI=1S/C18H22N2O/c19-20-16(10-11-21-17-7-2-1-3-8-17)13-15-12-14-6-4-5-9-18(14)15/h1-9,15-16,20H,10-13,19H2
InChIKeyZBXPRRAPYXFQQO-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.02
Rot. Bonds7

About [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine (PubChem CID 105191501) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine
PubChem CID105191501
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine
SMILESNNC(CCOc1ccccc1)CC1Cc2ccccc21
InChIInChI=1S/C18H22N2O/c19-20-16(10-11-21-17-7-2-1-3-8-17)13-15-12-14-6-4-5-9-18(14)15/h1-9,15-16,20H,10-13,19H2
InChIKeyZBXPRRAPYXFQQO-UHFFFAOYSA-N
XLogP3.02
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.02
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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Related Compounds

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine
CID 105205768
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)nonan-2-ylhydrazine
CID 105319320
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-methoxypentan-2-yl]hydrazine
CID 105267173
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105319294
1-phenoxyhex-5-yn-3-ylhydrazine
CID 105191454
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(4-fluorophenyl)propan-2-yl]hydrazine
CID 105198387
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105212720
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170643
1-phenoxyhept-5-yn-3-ylhydrazine
CID 105191389
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylpentan-2-yl]hydrazine
CID 105319265
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropylethyl]hydrazine
CID 105202555

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine (CID 105191501) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine is NNC(CCOc1ccccc1)CC1Cc2ccccc21.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine?
The InChIKey is ZBXPRRAPYXFQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c19-20-16(10-11-21-17-7-2-1-3-8-17)13-15-12-14-6-4-5-9-18(14)15/h1-9,15-16,20H,10-13,19H2.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine has a molecular weight of 282.39 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine is sourced from PubChem (CID 105191501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).