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

C15H17NO3 — CID 653171

IUPACN-(3-oxo-1H-2-benzofuran-5-yl)cyclohexanecarboxamide
SMILESO=C1OCc2ccc(NC(=O)C3CCCCC3)cc21
InChIInChI=1S/C15H17NO3/c17-14(10-4-2-1-3-5-10)16-12-7-6-11-9-19-15(18)13(11)8-12/h6-8,10H,1-5,9H2,(H,16,17)
InChIKeyGMVUKSOBWYCISP-UHFFFAOYSA-N
MW259.30 g/mol
LogP2.88
Rot. Bonds2

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

N-(3-oxo-1H-2-benzofuran-5-yl)cyclohexanecarboxamide (PubChem CID 653171) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is N-(3-oxo-1H-2-benzofuran-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(3-oxo-1H-2-benzofuran-5-yl)cyclohexanecarboxamide
PubChem CID653171
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC NameN-(3-oxo-1H-2-benzofuran-5-yl)cyclohexanecarboxamide
SMILESO=C1OCc2ccc(NC(=O)C3CCCCC3)cc21
InChIInChI=1S/C15H17NO3/c17-14(10-4-2-1-3-5-10)16-12-7-6-11-9-19-15(18)13(11)8-12/h6-8,10H,1-5,9H2,(H,16,17)
InChIKeyGMVUKSOBWYCISP-UHFFFAOYSA-N
XLogP2.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)cyclohexanecarboxamide (CID 653171) is N-(3-oxo-1H-2-benzofuran-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(3-oxo-1H-2-benzofuran-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(3-oxo-1H-2-benzofuran-5-yl)cyclohexanecarboxamide is O=C1OCc2ccc(NC(=O)C3CCCCC3)cc21.
What is the InChIKey of N-(3-oxo-1H-2-benzofuran-5-yl)cyclohexanecarboxamide?
The InChIKey is GMVUKSOBWYCISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(10-4-2-1-3-5-10)16-12-7-6-11-9-19-15(18)13(11)8-12/h6-8,10H,1-5,9H2,(H,16,17).
What are the key properties of N-(3-oxo-1H-2-benzofuran-5-yl)cyclohexanecarboxamide?
N-(3-oxo-1H-2-benzofuran-5-yl)cyclohexanecarboxamide has a molecular weight of 259.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-1H-2-benzofuran-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 653171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).