N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide

C14H15NO3 — CID 18007934

IUPACN-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1coc2ccc(O)cc12)C1CC1
InChIInChI=1S/C14H15NO3/c16-11-3-4-13-12(7-11)10(8-18-13)5-6-15-14(17)9-1-2-9/h3-4,7-9,16H,1-2,5-6H2,(H,15,17)
InChIKeyRHRUORVIJROPCW-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.21
Rot. Bonds4

About N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide

N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide (PubChem CID 18007934) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide
PubChem CID18007934
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCc1coc2ccc(O)cc12)C1CC1
InChIInChI=1S/C14H15NO3/c16-11-3-4-13-12(7-11)10(8-18-13)5-6-15-14(17)9-1-2-9/h3-4,7-9,16H,1-2,5-6H2,(H,15,17)
InChIKeyRHRUORVIJROPCW-UHFFFAOYSA-N
XLogP2.21
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide (CID 18007934) is N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide is O=C(NCCc1coc2ccc(O)cc12)C1CC1.
What is the InChIKey of N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide?
The InChIKey is RHRUORVIJROPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-11-3-4-13-12(7-11)10(8-18-13)5-6-15-14(17)9-1-2-9/h3-4,7-9,16H,1-2,5-6H2,(H,15,17).
What are the key properties of N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide?
N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-hydroxy-1-benzofuran-3-yl)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 18007934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).