2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile

C7H11NO2 — CID 106824751

IUPAC2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile
SMILESCOC1CC(O)(CC#N)C1
InChIInChI=1S/C7H11NO2/c1-10-6-4-7(9,5-6)2-3-8/h6,9H,2,4-5H2,1H3
InChIKeyGCUXLASCLVZGQB-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.44
Rot. Bonds2

About 2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile

2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile (PubChem CID 106824751) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile.

Molecular Properties

Compound Name2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile
PubChem CID106824751
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile
SMILESCOC1CC(O)(CC#N)C1
InChIInChI=1S/C7H11NO2/c1-10-6-4-7(9,5-6)2-3-8/h6,9H,2,4-5H2,1H3
InChIKeyGCUXLASCLVZGQB-UHFFFAOYSA-N
XLogP0.44
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile?
The IUPAC name of 2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile (CID 106824751) is 2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile.
What is the SMILES notation for 2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile?
The canonical SMILES for 2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile is COC1CC(O)(CC#N)C1.
What is the InChIKey of 2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile?
The InChIKey is GCUXLASCLVZGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-10-6-4-7(9,5-6)2-3-8/h6,9H,2,4-5H2,1H3.
What are the key properties of 2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile?
2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile has a molecular weight of 141.17 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxy-3-methoxycyclobutyl)acetonitrile is sourced from PubChem (CID 106824751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).