8-(furan-3-yl)-N-hydroxy-8-oxooctanamide

C12H17NO4 — CID 23072368

IUPAC8-(furan-3-yl)-N-hydroxy-8-oxooctanamide
SMILESO=C(CCCCCCC(=O)c1ccoc1)NO
InChIInChI=1S/C12H17NO4/c14-11(10-7-8-17-9-10)5-3-1-2-4-6-12(15)13-16/h7-9,16H,1-6H2,(H,13,15)
InChIKeyAIMWBZCPYQQONL-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.31
Rot. Bonds8

About 8-(furan-3-yl)-N-hydroxy-8-oxooctanamide

8-(furan-3-yl)-N-hydroxy-8-oxooctanamide (PubChem CID 23072368) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 8-(furan-3-yl)-N-hydroxy-8-oxooctanamide.

Molecular Properties

Compound Name8-(furan-3-yl)-N-hydroxy-8-oxooctanamide
PubChem CID23072368
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name8-(furan-3-yl)-N-hydroxy-8-oxooctanamide
SMILESO=C(CCCCCCC(=O)c1ccoc1)NO
InChIInChI=1S/C12H17NO4/c14-11(10-7-8-17-9-10)5-3-1-2-4-6-12(15)13-16/h7-9,16H,1-6H2,(H,13,15)
InChIKeyAIMWBZCPYQQONL-UHFFFAOYSA-N
XLogP2.31
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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 8-(furan-3-yl)-N-hydroxy-8-oxooctanamide?
The IUPAC name of 8-(furan-3-yl)-N-hydroxy-8-oxooctanamide (CID 23072368) is 8-(furan-3-yl)-N-hydroxy-8-oxooctanamide.
What is the SMILES notation for 8-(furan-3-yl)-N-hydroxy-8-oxooctanamide?
The canonical SMILES for 8-(furan-3-yl)-N-hydroxy-8-oxooctanamide is O=C(CCCCCCC(=O)c1ccoc1)NO.
What is the InChIKey of 8-(furan-3-yl)-N-hydroxy-8-oxooctanamide?
The InChIKey is AIMWBZCPYQQONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c14-11(10-7-8-17-9-10)5-3-1-2-4-6-12(15)13-16/h7-9,16H,1-6H2,(H,13,15).
What are the key properties of 8-(furan-3-yl)-N-hydroxy-8-oxooctanamide?
8-(furan-3-yl)-N-hydroxy-8-oxooctanamide has a molecular weight of 239.27 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-yl)-N-hydroxy-8-oxooctanamide is sourced from PubChem (CID 23072368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).