4-(1-benzofuran-3-yl)butanehydrazide

C12H14N2O2 — CID 116843663

IUPAC4-(1-benzofuran-3-yl)butanehydrazide
SMILESNNC(=O)CCCc1coc2ccccc12
InChIInChI=1S/C12H14N2O2/c13-14-12(15)7-3-4-9-8-16-11-6-2-1-5-10(9)11/h1-2,5-6,8H,3-4,7,13H2,(H,14,15)
InChIKeyHGIOIDOQQHSZOM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.75
Rot. Bonds4

About 4-(1-benzofuran-3-yl)butanehydrazide

4-(1-benzofuran-3-yl)butanehydrazide (PubChem CID 116843663) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(1-benzofuran-3-yl)butanehydrazide.

Molecular Properties

Compound Name4-(1-benzofuran-3-yl)butanehydrazide
PubChem CID116843663
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(1-benzofuran-3-yl)butanehydrazide
SMILESNNC(=O)CCCc1coc2ccccc12
InChIInChI=1S/C12H14N2O2/c13-14-12(15)7-3-4-9-8-16-11-6-2-1-5-10(9)11/h1-2,5-6,8H,3-4,7,13H2,(H,14,15)
InChIKeyHGIOIDOQQHSZOM-UHFFFAOYSA-N
XLogP1.75
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-benzofuran-3-yl)-N-methylpentanehydrazide
CID 116845280
2-amino-6-(1-benzofuran-3-yl)hexanoic acid
CID 112518542
10-(1-benzofuran-3-yl)decan-1-amine
CID 152675893
methyl 4-(4-oxochromen-3-yl)butanoate
CID 14844821
4-(1-benzofuran-3-yl)butane-1-sulfonic acid
CID 18415274
N-(1-benzofuran-3-ylmethyl)-4-oxopentanamide
CID 115176895
10-(1-benzofuran-3-yl)decane-1-sulfonic acid
CID 18415200
2-[2-(1-benzofuran-3-yl)ethylamino]acetic acid
CID 83641419
ethyl 4-(1-benzofuran-3-ylmethylamino)butanoate
CID 80702154
phenyl 3-(1-benzofuran-3-yl)propanoate
CID 175332798
1-[2-(1-benzofuran-3-yl)ethyl]-1-methylurea
CID 115168716
4-amino-N-[2-(1-benzofuran-3-yl)ethyl]-3-methylbutanamide
CID 115156463

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-3-yl)butanehydrazide?
The IUPAC name of 4-(1-benzofuran-3-yl)butanehydrazide (CID 116843663) is 4-(1-benzofuran-3-yl)butanehydrazide.
What is the SMILES notation for 4-(1-benzofuran-3-yl)butanehydrazide?
The canonical SMILES for 4-(1-benzofuran-3-yl)butanehydrazide is NNC(=O)CCCc1coc2ccccc12.
What is the InChIKey of 4-(1-benzofuran-3-yl)butanehydrazide?
The InChIKey is HGIOIDOQQHSZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c13-14-12(15)7-3-4-9-8-16-11-6-2-1-5-10(9)11/h1-2,5-6,8H,3-4,7,13H2,(H,14,15).
What are the key properties of 4-(1-benzofuran-3-yl)butanehydrazide?
4-(1-benzofuran-3-yl)butanehydrazide has a molecular weight of 218.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-3-yl)butanehydrazide is sourced from PubChem (CID 116843663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).