1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile

C13H19NO2 — CID 116874921

IUPAC1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile
SMILESN#CC1(C2(C3CCOCC3)COC2)CCC1
InChIInChI=1S/C13H19NO2/c14-8-12(4-1-5-12)13(9-16-10-13)11-2-6-15-7-3-11/h11H,1-7,9-10H2
InChIKeyNKMPGQQGXOOYCT-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.12
Rot. Bonds2

About 1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile

1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile (PubChem CID 116874921) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile
PubChem CID116874921
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile
SMILESN#CC1(C2(C3CCOCC3)COC2)CCC1
InChIInChI=1S/C13H19NO2/c14-8-12(4-1-5-12)13(9-16-10-13)11-2-6-15-7-3-11/h11H,1-7,9-10H2
InChIKeyNKMPGQQGXOOYCT-UHFFFAOYSA-N
XLogP2.12
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-cyclobutyloxetan-3-yl)cyclopropane-1-carbonitrile
CID 116874678
1-(3-hydroxyoxan-3-yl)cyclobutane-1-carbonitrile
CID 79133076
1-(4-hydroxy-3-methyloxan-4-yl)cyclobutane-1-carbonitrile
CID 130491628
3-(4-hydroxyoxepan-4-yl)oxane-3-carbonitrile
CID 103715856
3-(oxan-4-yl)oxetane-3-thiol
CID 116872935
3-(1-hydroxy-2,2-dimethylcyclopentyl)oxane-3-carbonitrile
CID 103738416
1-[(oxan-4-ylamino)methyl]cyclobutane-1-carbonitrile
CID 115245088
1-(3-hydroxyoxan-3-yl)cyclooctane-1-carbonitrile
CID 80603437
3-(3-hydroxyoxan-3-yl)oxane-3-carbonitrile
CID 103715835
2-fluoro-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 75229714
1-(3-tert-butyloxetan-3-yl)cyclopropane-1-carbonitrile
CID 116874610
4-(3-hydroxyoxolan-3-yl)oxane-4-carbonitrile
CID 79130852

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile (CID 116874921) is 1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile is N#CC1(C2(C3CCOCC3)COC2)CCC1.
What is the InChIKey of 1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile?
The InChIKey is NKMPGQQGXOOYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c14-8-12(4-1-5-12)13(9-16-10-13)11-2-6-15-7-3-11/h11H,1-7,9-10H2.
What are the key properties of 1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile?
1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile has a molecular weight of 221.30 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxan-4-yl)oxetan-3-yl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 116874921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).