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

C16H20N2O — CID 105319294

IUPAC[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine
SMILESNNC(CCc1ccco1)CC1Cc2ccccc21
InChIInChI=1S/C16H20N2O/c17-18-14(7-8-15-5-3-9-19-15)11-13-10-12-4-1-2-6-16(12)13/h1-6,9,13-14,18H,7-8,10-11,17H2
InChIKeyIBEPXBNRAFHZIJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.77
Rot. Bonds6

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

[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine (PubChem CID 105319294) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine
PubChem CID105319294
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine
SMILESNNC(CCc1ccco1)CC1Cc2ccccc21
InChIInChI=1S/C16H20N2O/c17-18-14(7-8-15-5-3-9-19-15)11-13-10-12-4-1-2-6-16(12)13/h1-6,9,13-14,18H,7-8,10-11,17H2
InChIKeyIBEPXBNRAFHZIJ-UHFFFAOYSA-N
XLogP2.77
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.77
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)-N-ethyl-4-(furan-2-yl)butan-2-amine
CID 105162710
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)-N-propylbutan-2-amine
CID 105162886
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenylbutan-2-yl]hydrazine
CID 105205768
[1-cyclopentyl-4-(furan-2-yl)butan-2-yl]hydrazine
CID 105299009
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-phenoxybutan-2-yl]hydrazine
CID 105191501
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)nonan-2-ylhydrazine
CID 105319320
1-(furan-2-yl)hexan-3-ylhydrazine
CID 105282196
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)-4-methoxypentan-2-yl]hydrazine
CID 105267173
[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

Frequently Asked Questions

What is the IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine?
The IUPAC name of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine (CID 105319294) is [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine?
The canonical SMILES for [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine is NNC(CCc1ccco1)CC1Cc2ccccc21.
What is the InChIKey of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine?
The InChIKey is IBEPXBNRAFHZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-18-14(7-8-15-5-3-9-19-15)11-13-10-12-4-1-2-6-16(12)13/h1-6,9,13-14,18H,7-8,10-11,17H2.
What are the key properties of [1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine?
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-(furan-2-yl)butan-2-yl]hydrazine has a molecular weight of 256.35 g/mol, XLogP of 2.77, 6 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-(furan-2-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105319294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).