1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile

C11H15NO — CID 116874678

IUPAC1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(C2(C3CCC3)COC2)CC1
InChIInChI=1S/C11H15NO/c12-6-10(4-5-10)11(7-13-8-11)9-2-1-3-9/h9H,1-5,7-8H2
InChIKeyDZRVYHNULYHRIO-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.11
Rot. Bonds2

About 1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile

1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile (PubChem CID 116874678) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile
PubChem CID116874678
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(C2(C3CCC3)COC2)CC1
InChIInChI=1S/C11H15NO/c12-6-10(4-5-10)11(7-13-8-11)9-2-1-3-9/h9H,1-5,7-8H2
InChIKeyDZRVYHNULYHRIO-UHFFFAOYSA-N
XLogP2.11
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile
CID 116874921
1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile
CID 116874610
methyl 1-(3-cyclobutyloxetan-3-yl)cyclobutane-1-carboxylate
CID 116875046
1-cyclopentylcyclopentane-1-carbonitrile
CID 130513545
1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile
CID 79131268
1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutane-1-carboxylic acid
CID 116874997
(4R,4aS,8aR)-4-hydroxy-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalene-4a-carbonitrile
CID 131154338
1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile
CID 79133076
N-methyl-1-[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874978
2-cyclobutyl-2-methylcyclopropane-1-carbonitrile
CID 116841940
1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile
CID 130513311
[1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]cyclopropyl]methanamine
CID 116874838

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile (CID 116874678) is 1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile is N#CC1(C2(C3CCC3)COC2)CC1.
What is the InChIKey of 1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile?
The InChIKey is DZRVYHNULYHRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c12-6-10(4-5-10)11(7-13-8-11)9-2-1-3-9/h9H,1-5,7-8H2.
What are the key properties of 1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile?
1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile has a molecular weight of 177.25 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116874678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).