2-cyclopentyl-2-methoxyacetonitrile

C8H13NO — CID 66071942

IUPAC2-cyclopentyl-2-methoxyacetonitrile
SMILESCOC(C#N)C1CCCC1
InChIInChI=1S/C8H13NO/c1-10-8(6-9)7-4-2-3-5-7/h7-8H,2-5H2,1H3
InChIKeyNZJHAYFIWWXNIW-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.72
Rot. Bonds2

About 2-cyclopentyl-2-methoxyacetonitrile

2-cyclopentyl-2-methoxyacetonitrile (PubChem CID 66071942) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-cyclopentyl-2-methoxyacetonitrile.

Molecular Properties

Compound Name2-cyclopentyl-2-methoxyacetonitrile
PubChem CID66071942
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-cyclopentyl-2-methoxyacetonitrile
SMILESCOC(C#N)C1CCCC1
InChIInChI=1S/C8H13NO/c1-10-8(6-9)7-4-2-3-5-7/h7-8H,2-5H2,1H3
InChIKeyNZJHAYFIWWXNIW-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-2-methoxyacetonitrile?
The IUPAC name of 2-cyclopentyl-2-methoxyacetonitrile (CID 66071942) is 2-cyclopentyl-2-methoxyacetonitrile.
What is the SMILES notation for 2-cyclopentyl-2-methoxyacetonitrile?
The canonical SMILES for 2-cyclopentyl-2-methoxyacetonitrile is COC(C#N)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-2-methoxyacetonitrile?
The InChIKey is NZJHAYFIWWXNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-10-8(6-9)7-4-2-3-5-7/h7-8H,2-5H2,1H3.
What are the key properties of 2-cyclopentyl-2-methoxyacetonitrile?
2-cyclopentyl-2-methoxyacetonitrile has a molecular weight of 139.20 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-2-methoxyacetonitrile is sourced from PubChem (CID 66071942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).