[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine

C13H18N2O — CID 105263013

IUPAC[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)C1Cc2ccccc2O1
InChIInChI=1S/C13H18N2O/c1-9(2)7-11(15-14)13-8-10-5-3-4-6-12(10)16-13/h3-6,11,13,15H,1,7-8,14H2,2H3
InChIKeyWYLHNMUGYZOWEP-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds4

About [1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine

[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine (PubChem CID 105263013) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is [1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine.

Molecular Properties

Compound Name[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine
PubChem CID105263013
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine
SMILESC=C(C)CC(NN)C1Cc2ccccc2O1
InChIInChI=1S/C13H18N2O/c1-9(2)7-11(15-14)13-8-10-5-3-4-6-12(10)16-13/h3-6,11,13,15H,1,7-8,14H2,2H3
InChIKeyWYLHNMUGYZOWEP-UHFFFAOYSA-N
XLogP1.79
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbutyl]hydrazine
CID 105262824
1-(2,3-dihydro-1-benzofuran-2-yl)-4-methyl-N-propylpent-4-en-1-amine
CID 114475790
1-(2,3-dihydro-1-benzofuran-2-yl)heptylhydrazine
CID 105262982
[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2,3-dihydro-1-benzofuran-2-yl)ethyl]hydrazine
CID 105263001
[1-(2,3-dihydro-1-benzofuran-2-yl)-2-(1-methylimidazol-2-yl)ethyl]hydrazine
CID 105263048
[1-(2,3-dihydro-1-benzofuran-2-yl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103025971
[1-(2,3-dihydro-1,4-benzoxathiin-2-yl)-3-methylidenepentyl]hydrazine
CID 106602324
[1-(2,3-dihydro-1-benzofuran-2-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105262963
1-(3,4-dihydro-2H-chromen-3-yl)-3-methylbut-3-en-1-amine
CID 79186066
[1-(2,3-dihydro-1-benzofuran-2-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethyl]hydrazine
CID 105263051
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-2-(1,3-thiazol-5-yl)ethanamine
CID 112643567
[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-methylbut-3-enyl]hydrazine
CID 105319554

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine?
The IUPAC name of [1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine (CID 105263013) is [1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine.
What is the SMILES notation for [1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine?
The canonical SMILES for [1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine is C=C(C)CC(NN)C1Cc2ccccc2O1.
What is the InChIKey of [1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine?
The InChIKey is WYLHNMUGYZOWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)7-11(15-14)13-8-10-5-3-4-6-12(10)16-13/h3-6,11,13,15H,1,7-8,14H2,2H3.
What are the key properties of [1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine?
[1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine has a molecular weight of 218.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dihydro-1-benzofuran-2-yl)-3-methylbut-3-enyl]hydrazine is sourced from PubChem (CID 105263013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).