N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide

C14H12N2O2 — CID 115183237

IUPACN-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide
SMILESN#CC1(C(=O)Nc2coc3ccccc23)CCC1
InChIInChI=1S/C14H12N2O2/c15-9-14(6-3-7-14)13(17)16-11-8-18-12-5-2-1-4-10(11)12/h1-2,4-5,8H,3,6-7H2,(H,16,17)
InChIKeyIMWOKDZGPAPMRX-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.07
Rot. Bonds2

About N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide

N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide (PubChem CID 115183237) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide
PubChem CID115183237
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC NameN-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide
SMILESN#CC1(C(=O)Nc2coc3ccccc23)CCC1
InChIInChI=1S/C14H12N2O2/c15-9-14(6-3-7-14)13(17)16-11-8-18-12-5-2-1-4-10(11)12/h1-2,4-5,8H,3,6-7H2,(H,16,17)
InChIKeyIMWOKDZGPAPMRX-UHFFFAOYSA-N
XLogP3.07
TPSA66.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-3-ylcarbamoyl)cyclobutane-1-carboxylic acid
CID 115183832
N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide
CID 115183377
1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 78994720
1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 78994745
1-cyano-N-(2,3-dichlorophenyl)cyclobutane-1-carboxamide
CID 78994957
1-cyano-N-(2-nitrophenyl)cyclopentane-1-carboxamide
CID 103604334
N-(2-bromo-3-chlorophenyl)-1-cyanocyclobutane-1-carboxamide
CID 103479524
1-cyano-N-(2,6-dibromophenyl)cyclobutane-1-carboxamide
CID 107600288
1-cyano-N-(2,3-dichlorophenyl)cyclopentane-1-carboxamide
CID 51246250
1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile
CID 83699241
1-cyano-N-(3-methyl-4-pyridinyl)cyclobutane-1-carboxamide
CID 78995050
N-(2-bromo-5-methylphenyl)-1-cyanocyclobutane-1-carboxamide
CID 82706072

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide?
The IUPAC name of N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide (CID 115183237) is N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide.
What is the SMILES notation for N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide?
The canonical SMILES for N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide is N#CC1(C(=O)Nc2coc3ccccc23)CCC1.
What is the InChIKey of N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide?
The InChIKey is IMWOKDZGPAPMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-9-14(6-3-7-14)13(17)16-11-8-18-12-5-2-1-4-10(11)12/h1-2,4-5,8H,3,6-7H2,(H,16,17).
What are the key properties of N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide?
N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide has a molecular weight of 240.26 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide is sourced from PubChem (CID 115183237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).