N-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide

C11H9NO2 — CID 167512094

IUPACN-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide
SMILESCCNC(=O)c1coc2c#cccc12
InChIInChI=1S/C11H9NO2/c1-2-12-11(13)9-7-14-10-6-4-3-5-8(9)10/h3,5,7H,2H2,1H3,(H,12,13)
InChIKeyAYLREHFJEFOAHC-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.78
Rot. Bonds2

About N-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide

N-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide (PubChem CID 167512094) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is N-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide
PubChem CID167512094
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC NameN-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide
SMILESCCNC(=O)c1coc2c#cccc12
InChIInChI=1S/C11H9NO2/c1-2-12-11(13)9-7-14-10-6-4-3-5-8(9)10/h3,5,7H,2H2,1H3,(H,12,13)
InChIKeyAYLREHFJEFOAHC-UHFFFAOYSA-N
XLogP1.78
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide (CID 167512094) is N-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide is CCNC(=O)c1coc2c#cccc12.
What is the InChIKey of N-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide?
The InChIKey is AYLREHFJEFOAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-2-12-11(13)9-7-14-10-6-4-3-5-8(9)10/h3,5,7H,2H2,1H3,(H,12,13).
What are the key properties of N-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide?
N-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide has a molecular weight of 187.20 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6,7-didehydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 167512094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).