[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine

C16H24N2O2 — CID 105198529

IUPAC[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine
SMILESNNC(CCc1ccc2c(c1)CCO2)CC1CCCO1
InChIInChI=1S/C16H24N2O2/c17-18-14(11-15-2-1-8-19-15)5-3-12-4-6-16-13(10-12)7-9-20-16/h4,6,10,14-15,18H,1-3,5,7-9,11,17H2
InChIKeyUTJIIAGALQUSIU-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.96
Rot. Bonds6

About [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine

[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine (PubChem CID 105198529) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine.

Molecular Properties

Compound Name[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine
PubChem CID105198529
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine
SMILESNNC(CCc1ccc2c(c1)CCO2)CC1CCCO1
InChIInChI=1S/C16H24N2O2/c17-18-14(11-15-2-1-8-19-15)5-3-12-4-6-16-13(10-12)7-9-20-16/h4,6,10,14-15,18H,1-3,5,7-9,11,17H2
InChIKeyUTJIIAGALQUSIU-UHFFFAOYSA-N
XLogP1.96
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine?
The IUPAC name of [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine (CID 105198529) is [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine.
What is the SMILES notation for [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine?
The canonical SMILES for [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine is NNC(CCc1ccc2c(c1)CCO2)CC1CCCO1.
What is the InChIKey of [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine?
The InChIKey is UTJIIAGALQUSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-18-14(11-15-2-1-8-19-15)5-3-12-4-6-16-13(10-12)7-9-20-16/h4,6,10,14-15,18H,1-3,5,7-9,11,17H2.
What are the key properties of [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine?
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine has a molecular weight of 276.38 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydro-1-benzofuran-5-yl)-1-(oxolan-2-yl)butan-2-yl]hydrazine is sourced from PubChem (CID 105198529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).