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

C14H13NO — CID 116929257

IUPAC1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile
SMILESN#CC1(Cc2coc3ccccc23)CCC1
InChIInChI=1S/C14H13NO/c15-10-14(6-3-7-14)8-11-9-16-13-5-2-1-4-12(11)13/h1-2,4-5,9H,3,6-8H2
InChIKeyVITKLSHKBCYVFW-UHFFFAOYSA-N
MW211.26 g/mol
LogP3.67
Rot. Bonds2

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

1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile (PubChem CID 116929257) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile
PubChem CID116929257
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile
SMILESN#CC1(Cc2coc3ccccc23)CCC1
InChIInChI=1S/C14H13NO/c15-10-14(6-3-7-14)8-11-9-16-13-5-2-1-4-12(11)13/h1-2,4-5,9H,3,6-8H2
InChIKeyVITKLSHKBCYVFW-UHFFFAOYSA-N
XLogP3.67
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(1-benzofuran-3-yl)ethylamino]methyl]cyclobutane-1-carbonitrile
CID 115245466
1-[[2-(1-benzofuran-3-yl)ethyl-methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242624
1-(1-benzofuran-3-yl)cyclobutane-1-carbonitrile
CID 83699241
N-[2-(1-benzofuran-3-yl)ethyl]-1-cyanocyclobutane-1-carboxamide
CID 115183377
1-(naphthalen-1-ylmethyl)cyclopropane-1-carbonitrile
CID 116837184
1-[(1-benzofuran-3-ylmethylamino)methyl]cyclohexan-1-ol
CID 78963908
1-(1-benzothiophen-3-ylmethyl)cycloheptane-1-carbonitrile
CID 65389327
3-(cyclobutylmethyl)-1-benzofuran
CID 145054198
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
1-(furan-2-ylmethyl)cyclopentane-1-carbonitrile
CID 65379312
2-(1-benzofuran-3-ylmethylamino)-2-methylpropanenitrile
CID 115129363
N-(1-benzofuran-3-yl)-1-cyanocyclobutane-1-carboxamide
CID 115183237

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile (CID 116929257) is 1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile is N#CC1(Cc2coc3ccccc23)CCC1.
What is the InChIKey of 1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile?
The InChIKey is VITKLSHKBCYVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c15-10-14(6-3-7-14)8-11-9-16-13-5-2-1-4-12(11)13/h1-2,4-5,9H,3,6-8H2.
What are the key properties of 1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile?
1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile has a molecular weight of 211.26 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-ylmethyl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 116929257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).