2-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile

C8H13NO — CID 59453895

IUPAC2-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile
SMILESC[C@H]1CCC[C@@H]1OCC#N
InChIInChI=1S/C8H13NO/c1-7-3-2-4-8(7)10-6-5-9/h7-8H,2-4,6H2,1H3/t7-,8-/m0/s1
InChIKeyAJLWQMVSDOVOSF-YUMQZZPRSA-N
MW139.20 g/mol
LogP1.72
Rot. Bonds2

About 2-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile

2-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile (PubChem CID 59453895) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile.

Molecular Properties

Compound Name2-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile
PubChem CID59453895
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile
SMILESC[C@H]1CCC[C@@H]1OCC#N
InChIInChI=1S/C8H13NO/c1-7-3-2-4-8(7)10-6-5-9/h7-8H,2-4,6H2,1H3/t7-,8-/m0/s1
InChIKeyAJLWQMVSDOVOSF-YUMQZZPRSA-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-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile?
The IUPAC name of 2-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile (CID 59453895) is 2-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile.
What is the SMILES notation for 2-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile?
The canonical SMILES for 2-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile is C[C@H]1CCC[C@@H]1OCC#N.
What is the InChIKey of 2-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile?
The InChIKey is AJLWQMVSDOVOSF-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H13NO/c1-7-3-2-4-8(7)10-6-5-9/h7-8H,2-4,6H2,1H3/t7-,8-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile?
2-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile 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-[(1S,2S)-2-methylcyclopentyl]oxyacetonitrile is sourced from PubChem (CID 59453895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).