2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile

C9H15NO — CID 118030297

IUPAC2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile
SMILESCCC[C@H]1CC[C@@H](CC#N)O1
InChIInChI=1S/C9H15NO/c1-2-3-8-4-5-9(11-8)6-7-10/h8-9H,2-6H2,1H3/t8-,9-/m0/s1
InChIKeyLDXPIHDSQGRPMO-IUCAKERBSA-N
MW153.22 g/mol
LogP2.25
Rot. Bonds3

About 2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile

2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile (PubChem CID 118030297) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile
PubChem CID118030297
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile
SMILESCCC[C@H]1CC[C@@H](CC#N)O1
InChIInChI=1S/C9H15NO/c1-2-3-8-4-5-9(11-8)6-7-10/h8-9H,2-6H2,1H3/t8-,9-/m0/s1
InChIKeyLDXPIHDSQGRPMO-IUCAKERBSA-N
XLogP2.25
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile?
The IUPAC name of 2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile (CID 118030297) is 2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile.
What is the SMILES notation for 2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile?
The canonical SMILES for 2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile is CCC[C@H]1CC[C@@H](CC#N)O1.
What is the InChIKey of 2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile?
The InChIKey is LDXPIHDSQGRPMO-IUCAKERBSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-8-4-5-9(11-8)6-7-10/h8-9H,2-6H2,1H3/t8-,9-/m0/s1.
What are the key properties of 2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile?
2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile has a molecular weight of 153.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S)-5-propyloxolan-2-yl]acetonitrile is sourced from PubChem (CID 118030297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).