1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile

C10H15NO2 — CID 130834374

IUPAC1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(CC2(CO)COC2)CCC1
InChIInChI=1S/C10H15NO2/c11-5-9(2-1-3-9)4-10(6-12)7-13-8-10/h12H,1-4,6-8H2
InChIKeyCZCFEJJXDXORKX-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.08
Rot. Bonds3

About 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile

1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile (PubChem CID 130834374) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile
PubChem CID130834374
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(CC2(CO)COC2)CCC1
InChIInChI=1S/C10H15NO2/c11-5-9(2-1-3-9)4-10(6-12)7-13-8-10/h12H,1-4,6-8H2
InChIKeyCZCFEJJXDXORKX-UHFFFAOYSA-N
XLogP1.08
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile (CID 130834374) is 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile is N#CC1(CC2(CO)COC2)CCC1.
What is the InChIKey of 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile?
The InChIKey is CZCFEJJXDXORKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c11-5-9(2-1-3-9)4-10(6-12)7-13-8-10/h12H,1-4,6-8H2.
What are the key properties of 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile?
1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile has a molecular weight of 181.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(hydroxymethyl)oxetan-3-yl]methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 130834374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).