1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile

C11H17NO — CID 116874610

IUPAC1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile
SMILESCC(C)(C)C1(C2(C#N)CC2)COC1
InChIInChI=1S/C11H17NO/c1-9(2,3)11(7-13-8-11)10(6-12)4-5-10/h4-5,7-8H2,1-3H3
InChIKeyBFCQQSAERNBQCD-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.35
Rot. Bonds1

About 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile

1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile (PubChem CID 116874610) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile
PubChem CID116874610
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile
SMILESCC(C)(C)C1(C2(C#N)CC2)COC1
InChIInChI=1S/C11H17NO/c1-9(2,3)11(7-13-8-11)10(6-12)4-5-10/h4-5,7-8H2,1-3H3
InChIKeyBFCQQSAERNBQCD-UHFFFAOYSA-N
XLogP2.35
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile
CID 116874678
1-(3-hydroxyoxolan-3-yl)-3-methylcyclopentane-1-carbonitrile
CID 79131268
[1-(3-tert-butyloxetan-3-yl)cyclobutyl]methanamine
CID 116874929
1-(1-hydroxy-3-methylcyclobutyl)cyclopropane-1-carbonitrile
CID 130513311
1-[3-(2,3,5,6-tetramethylphenyl)oxetan-3-yl]cyclopropane-1-carbonitrile
CID 116874625
1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)-4-methylcyclohexane-1-carbonitrile
CID 79128740
1-tert-butyl-1-methylcyclopropane;3-tert-butyl-3-methyloxetane;methane;2,2,3,3-tetramethylbutane
CID 158339173
1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile
CID 116874921
3-(2-aminopropan-2-yl)oxetan-3-ol
CID 155291014
4-(1-tert-butyl-4-hydroxypiperidin-4-yl)oxane-4-carbonitrile
CID 137371331
1-(4-hydroxyoxan-4-yl)-4,4-dimethylcyclohexane-1-carbonitrile
CID 79129941
1-(1-hydroxy-4,4-dimethylcyclohexyl)-4-methylcyclohexane-1-carbonitrile
CID 79131398

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile (CID 116874610) is 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile is CC(C)(C)C1(C2(C#N)CC2)COC1.
What is the InChIKey of 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile?
The InChIKey is BFCQQSAERNBQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(2,3)11(7-13-8-11)10(6-12)4-5-10/h4-5,7-8H2,1-3H3.
What are the key properties of 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile?
1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile has a molecular weight of 179.26 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 116874610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).