(2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile

C10H14N2O2 — CID 159887703

IUPAC(2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile
SMILESN#C[C@@H]1CCCO1.N#C[C@H]1CCCO1
InChIInChI=1S/2C5H7NO/c2*6-4-5-2-1-3-7-5/h2*5H,1-3H2/t2*5-/m10/s1
InChIKeyNUIPLVFZTBZEFB-JZLFTLSWSA-N
MW194.23 g/mol
LogP1.38
Rot. Bonds

About (2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile

(2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile (PubChem CID 159887703) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is (2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile.

Molecular Properties

Compound Name(2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile
PubChem CID159887703
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name(2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile
SMILESN#C[C@@H]1CCCO1.N#C[C@H]1CCCO1
InChIInChI=1S/2C5H7NO/c2*6-4-5-2-1-3-7-5/h2*5H,1-3H2/t2*5-/m10/s1
InChIKeyNUIPLVFZTBZEFB-JZLFTLSWSA-N
XLogP1.38
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-(oxan-2-ylmethyl)morpholine-2-carbonitrile
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lithium morpholin-4-ide-2-carbonitrile
CID 169184520
3-[(2S)-oxolan-2-yl]propanenitrile
CID 129367969
potassium (2-cyanomorpholin-4-yl)methyl-trifluoroboranuide
CID 79681092
2-(4-methylpent-1-ynyl)oxolane
CID 171837424
2-(oxolan-2-yl)ethynyl-tri(propan-2-yl)silane
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Frequently Asked Questions

What is the IUPAC name of (2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile?
The IUPAC name of (2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile (CID 159887703) is (2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile.
What is the SMILES notation for (2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile?
The canonical SMILES for (2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile is N#C[C@@H]1CCCO1.N#C[C@H]1CCCO1.
What is the InChIKey of (2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile?
The InChIKey is NUIPLVFZTBZEFB-JZLFTLSWSA-N. The full InChI is InChI=1S/2C5H7NO/c2*6-4-5-2-1-3-7-5/h2*5H,1-3H2/t2*5-/m10/s1.
What are the key properties of (2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile?
(2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile has a molecular weight of 194.23 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-oxolane-2-carbonitrile;(2R)-oxolane-2-carbonitrile is sourced from PubChem (CID 159887703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).