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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Related Compounds

2-[5-(2-methylbutan-2-yl)oxolan-2-yl]acetonitrile
CID 131142384
(2S,5R)-2,5-di(pentadecyl)oxolane
CID 71352690
2-[4-(4-propylcyclohexyl)cyclohexyl]acetonitrile
CID 14204808
2-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]acetonitrile
CID 70840657
3-[3a-(hydroxymethyl)-2-propyl-2,3,5,6,7,7a-hexahydrofuro[3,2-b]pyran-5-yl]propanenitrile
CID 71108815
2-[5-(4-bromothiophen-3-yl)oxolan-2-yl]acetonitrile
CID 130585614
2-[(2S,5R)-5-(cyanomethyl)-1,4-dioxan-2-yl]acetonitrile
CID 131858747
2-[(2R,5S)-5-[(5-fluoro-2-methoxyphenyl)methyl]oxolan-2-yl]acetonitrile
CID 140530631
2-(2-cyclopropyl-1,3-dioxolan-4-yl)acetonitrile
CID 117170053
2-[(2S,5R)-5-(5-fluoro-2-methoxyphenyl)oxolan-2-yl]acetonitrile
CID 67498988
N,N-diethylethanamine;2-(oxolan-2-yl)acetonitrile
CID 158767519
methyl 11-[(2S,5S)-5-propyloxolan-2-yl]undecanoate
CID 71389588

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).