3-propan-2-yloxycyclobutane-1-carbonitrile

C8H13NO — CID 84716209

IUPAC3-propan-2-yloxycyclobutane-1-carbonitrile
SMILESCC(C)OC1CC(C#N)C1
InChIInChI=1S/C8H13NO/c1-6(2)10-8-3-7(4-8)5-9/h6-8H,3-4H2,1-2H3
InChIKeyBFEIVHPGPWBONN-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.71
Rot. Bonds2

About 3-propan-2-yloxycyclobutane-1-carbonitrile

3-propan-2-yloxycyclobutane-1-carbonitrile (PubChem CID 84716209) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-propan-2-yloxycyclobutane-1-carbonitrile.

Molecular Properties

Compound Name3-propan-2-yloxycyclobutane-1-carbonitrile
PubChem CID84716209
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-propan-2-yloxycyclobutane-1-carbonitrile
SMILESCC(C)OC1CC(C#N)C1
InChIInChI=1S/C8H13NO/c1-6(2)10-8-3-7(4-8)5-9/h6-8H,3-4H2,1-2H3
InChIKeyBFEIVHPGPWBONN-UHFFFAOYSA-N
XLogP1.71
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxycyclobutane-1-carbonitrile?
The IUPAC name of 3-propan-2-yloxycyclobutane-1-carbonitrile (CID 84716209) is 3-propan-2-yloxycyclobutane-1-carbonitrile.
What is the SMILES notation for 3-propan-2-yloxycyclobutane-1-carbonitrile?
The canonical SMILES for 3-propan-2-yloxycyclobutane-1-carbonitrile is CC(C)OC1CC(C#N)C1.
What is the InChIKey of 3-propan-2-yloxycyclobutane-1-carbonitrile?
The InChIKey is BFEIVHPGPWBONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6(2)10-8-3-7(4-8)5-9/h6-8H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-yloxycyclobutane-1-carbonitrile?
3-propan-2-yloxycyclobutane-1-carbonitrile has a molecular weight of 139.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxycyclobutane-1-carbonitrile is sourced from PubChem (CID 84716209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).