1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile

C13H11NO — CID 83699241

IUPAC1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2coc3ccccc23)CCC1
InChIInChI=1S/C13H11NO/c14-9-13(6-3-7-13)11-8-15-12-5-2-1-4-10(11)12/h1-2,4-5,8H,3,6-7H2
InChIKeyJNPJEOCSWUZUJB-UHFFFAOYSA-N
MW197.24 g/mol
LogP3.38
Rot. Bonds1

About 1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile

1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile (PubChem CID 83699241) has the molecular formula C13H11NO and a molecular weight of 197.24 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile
PubChem CID83699241
Molecular FormulaC13H11NO
Molecular Weight197.24 g/mol
Exact Mass197.08
IUPAC Name1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2coc3ccccc23)CCC1
InChIInChI=1S/C13H11NO/c14-9-13(6-3-7-13)11-8-15-12-5-2-1-4-10(11)12/h1-2,4-5,8H,3,6-7H2
InChIKeyJNPJEOCSWUZUJB-UHFFFAOYSA-N
XLogP3.38
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-1-benzofuran-3-yl)cyclopropane-1-carbonitrile
CID 90298932
[1-(1-benzofuran-3-yl)cyclobutyl]methanol
CID 116963820
1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile
CID 116929257
1-furo[2,3-b]pyridin-3-ylcyclopropane-1-carbonitrile
CID 84769341
[1-(1-benzofuran-3-yl)cyclopentyl]methanamine
CID 82613639
3-(1-isocyanatocyclopropyl)-1-benzofuran
CID 84775191
N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide
CID 115183237
1-[[2-(1-benzofuran-3-yl)ethylamino]methyl]cyclobutane-1-carbonitrile
CID 115245466
2-(1-cyanocyclopentyl)benzonitrile
CID 117047164
3-(1-benzofuran-3-yl)azetidin-3-ol
CID 142712047
1-[2-[tert-butyl(dimethyl)silyl]oxyphenyl]cyclobutane-1-carbonitrile
CID 67346164
N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide
CID 115183377

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile (CID 83699241) is 1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile is N#CC1(c2coc3ccccc23)CCC1.
What is the InChIKey of 1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile?
The InChIKey is JNPJEOCSWUZUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO/c14-9-13(6-3-7-13)11-8-15-12-5-2-1-4-10(11)12/h1-2,4-5,8H,3,6-7H2.
What are the key properties of 1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile?
1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile has a molecular weight of 197.24 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 83699241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).