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

C19H24N2 — CID 105319366

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylpentan-2-yl]hydrazine
SMILESCCC(c1ccccc1)C(CC1Cc2ccccc21)NN
InChIInChI=1S/C19H24N2/c1-2-17(14-8-4-3-5-9-14)19(21-20)13-16-12-15-10-6-7-11-18(15)16/h3-11,16-17,19,21H,2,12-13,20H2,1H3
InChIKeySMJINUJRGRRLDL-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.74
Rot. Bonds6

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

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylpentan-2-yl]hydrazine (PubChem CID 105319366) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylpentan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylpentan-2-yl]hydrazine
PubChem CID105319366
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylpentan-2-yl]hydrazine
SMILESCCC(c1ccccc1)C(CC1Cc2ccccc21)NN
InChIInChI=1S/C19H24N2/c1-2-17(14-8-4-3-5-9-14)19(21-20)13-16-12-15-10-6-7-11-18(15)16/h3-11,16-17,19,21H,2,12-13,20H2,1H3
InChIKeySMJINUJRGRRLDL-UHFFFAOYSA-N
XLogP3.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-3-ethylpentan-2-yl]hydrazine
CID 105319265
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-ethylheptan-2-yl]hydrazine
CID 105319335
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propan-2-ylhydrazine
CID 105201338
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-methyl-1-phenylethanamine
CID 66419580
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethyl]hydrazine
CID 107979238
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105319368
1,2-bis(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethylhydrazine
CID 105224824
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-cyclopropylethyl]hydrazine
CID 105202555
[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pentan-2-yl]hydrazine
CID 105219620
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)nonan-2-ylhydrazine
CID 105319320
2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)butanoic acid
CID 79425221
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine
CID 105205768

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylpentan-2-yl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylpentan-2-yl]hydrazine (CID 105319366) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylpentan-2-yl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylpentan-2-yl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylpentan-2-yl]hydrazine is CCC(c1ccccc1)C(CC1Cc2ccccc21)NN.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylpentan-2-yl]hydrazine?
The InChIKey is SMJINUJRGRRLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-17(14-8-4-3-5-9-14)19(21-20)13-16-12-15-10-6-7-11-18(15)16/h3-11,16-17,19,21H,2,12-13,20H2,1H3.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylpentan-2-yl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylpentan-2-yl]hydrazine has a molecular weight of 280.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-phenylpentan-2-yl]hydrazine is sourced from PubChem (CID 105319366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).