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

C12H11NO3 — CID 1141310

IUPACN-(3-oxo-1H-2-benzofuran-5-yl)cyclopropanecarboxamide
SMILESO=C1OCc2ccc(NC(=O)C3CC3)cc21
InChIInChI=1S/C12H11NO3/c14-11(7-1-2-7)13-9-4-3-8-6-16-12(15)10(8)5-9/h3-5,7H,1-2,6H2,(H,13,14)
InChIKeyRTLHNZVDJGSAMU-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.71
Rot. Bonds2

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

N-(3-oxo-1H-2-benzofuran-5-yl)cyclopropanecarboxamide (PubChem CID 1141310) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is N-(3-oxo-1H-2-benzofuran-5-yl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(3-oxo-1H-2-benzofuran-5-yl)cyclopropanecarboxamide
PubChem CID1141310
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC NameN-(3-oxo-1H-2-benzofuran-5-yl)cyclopropanecarboxamide
SMILESO=C1OCc2ccc(NC(=O)C3CC3)cc21
InChIInChI=1S/C12H11NO3/c14-11(7-1-2-7)13-9-4-3-8-6-16-12(15)10(8)5-9/h3-5,7H,1-2,6H2,(H,13,14)
InChIKeyRTLHNZVDJGSAMU-UHFFFAOYSA-N
XLogP1.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.71
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)cyclopropanecarboxamide?
The IUPAC name of N-(3-oxo-1H-2-benzofuran-5-yl)cyclopropanecarboxamide (CID 1141310) is N-(3-oxo-1H-2-benzofuran-5-yl)cyclopropanecarboxamide.
What is the SMILES notation for N-(3-oxo-1H-2-benzofuran-5-yl)cyclopropanecarboxamide?
The canonical SMILES for N-(3-oxo-1H-2-benzofuran-5-yl)cyclopropanecarboxamide is O=C1OCc2ccc(NC(=O)C3CC3)cc21.
What is the InChIKey of N-(3-oxo-1H-2-benzofuran-5-yl)cyclopropanecarboxamide?
The InChIKey is RTLHNZVDJGSAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-11(7-1-2-7)13-9-4-3-8-6-16-12(15)10(8)5-9/h3-5,7H,1-2,6H2,(H,13,14).
What are the key properties of N-(3-oxo-1H-2-benzofuran-5-yl)cyclopropanecarboxamide?
N-(3-oxo-1H-2-benzofuran-5-yl)cyclopropanecarboxamide has a molecular weight of 217.22 g/mol, XLogP of 1.71, 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)cyclopropanecarboxamide is sourced from PubChem (CID 1141310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).