N-(1-oxo-3H-2-benzofuran-5-yl)butanamide

C12H13NO3 — CID 839769

IUPACN-(1-oxo-3H-2-benzofuran-5-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)COC2=O
InChIInChI=1S/C12H13NO3/c1-2-3-11(14)13-9-4-5-10-8(6-9)7-16-12(10)15/h4-6H,2-3,7H2,1H3,(H,13,14)
InChIKeySVESEMFYBGISTR-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.10
Rot. Bonds3

About N-(1-oxo-3H-2-benzofuran-5-yl)butanamide

N-(1-oxo-3H-2-benzofuran-5-yl)butanamide (PubChem CID 839769) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(1-oxo-3H-2-benzofuran-5-yl)butanamide.

Molecular Properties

Compound NameN-(1-oxo-3H-2-benzofuran-5-yl)butanamide
PubChem CID839769
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC NameN-(1-oxo-3H-2-benzofuran-5-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)COC2=O
InChIInChI=1S/C12H13NO3/c1-2-3-11(14)13-9-4-5-10-8(6-9)7-16-12(10)15/h4-6H,2-3,7H2,1H3,(H,13,14)
InChIKeySVESEMFYBGISTR-UHFFFAOYSA-N
XLogP2.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3H-2-benzofuran-5-yl)butanamide?
The IUPAC name of N-(1-oxo-3H-2-benzofuran-5-yl)butanamide (CID 839769) is N-(1-oxo-3H-2-benzofuran-5-yl)butanamide.
What is the SMILES notation for N-(1-oxo-3H-2-benzofuran-5-yl)butanamide?
The canonical SMILES for N-(1-oxo-3H-2-benzofuran-5-yl)butanamide is CCCC(=O)Nc1ccc2c(c1)COC2=O.
What is the InChIKey of N-(1-oxo-3H-2-benzofuran-5-yl)butanamide?
The InChIKey is SVESEMFYBGISTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-3-11(14)13-9-4-5-10-8(6-9)7-16-12(10)15/h4-6H,2-3,7H2,1H3,(H,13,14).
What are the key properties of N-(1-oxo-3H-2-benzofuran-5-yl)butanamide?
N-(1-oxo-3H-2-benzofuran-5-yl)butanamide has a molecular weight of 219.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3H-2-benzofuran-5-yl)butanamide is sourced from PubChem (CID 839769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).