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

C18H18N2O — CID 105224637

IUPAC[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1cccc2cc(C(NN)C3Cc4ccccc43)oc12
InChIInChI=1S/C18H18N2O/c1-11-5-4-7-13-10-16(21-18(11)13)17(20-19)15-9-12-6-2-3-8-14(12)15/h2-8,10,15,17,20H,9,19H2,1H3
InChIKeyABHVXBMJJPKRBQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.59
Rot. Bonds3

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

[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine (PubChem CID 105224637) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
PubChem CID105224637
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
SMILESCc1cccc2cc(C(NN)C3Cc4ccccc43)oc12
InChIInChI=1S/C18H18N2O/c1-11-5-4-7-13-10-16(21-18(11)13)17(20-19)15-9-12-6-2-3-8-14(12)15/h2-8,10,15,17,20H,9,19H2,1H3
InChIKeyABHVXBMJJPKRBQ-UHFFFAOYSA-N
XLogP3.59
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.59
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

[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 105224798
[(2,2-dimethylcyclopropyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 107005862
[2-bicyclo[2.2.1]heptanyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105266605
2,3-dihydro-1H-inden-2-yl-(7-methyl-1-benzofuran-2-yl)methanol
CID 114726715
[2-cyclopropyl-1-(7-methyl-1-benzofuran-2-yl)propyl]hydrazine
CID 105338377
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2,6-difluorophenyl)methyl]hydrazine
CID 105224671
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-fluoro-5-methylphenyl)methyl]hydrazine
CID 105224652
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(2-methylthiophen-3-yl)methyl]hydrazine
CID 102842792
1-(2,2-dimethylcyclopropyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107005057
1-cycloheptyl-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114729233
[(7-methyl-1-benzofuran-2-yl)-(2-methylfuran-3-yl)methyl]hydrazine
CID 105268934
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 114730043

Frequently Asked Questions

What is the IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The IUPAC name of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine (CID 105224637) is [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine.
What is the SMILES notation for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The canonical SMILES for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine is Cc1cccc2cc(C(NN)C3Cc4ccccc43)oc12.
What is the InChIKey of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
The InChIKey is ABHVXBMJJPKRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-11-5-4-7-13-10-16(21-18(11)13)17(20-19)15-9-12-6-2-3-8-14(12)15/h2-8,10,15,17,20H,9,19H2,1H3.
What are the key properties of [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine?
[7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine has a molecular weight of 278.36 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bicyclo[4.2.0]octa-1,3,5-trienyl-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine is sourced from PubChem (CID 105224637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).