(2R)-2-[(2R)-oxan-2-yl]propanenitrile

C8H13NO — CID 131858834

IUPAC(2R)-2-[(2R)-oxan-2-yl]propanenitrile
SMILESCC(C#N)[C@H]1CCCCO1
InChIInChI=1S/C8H13NO/c1-7(6-9)8-4-2-3-5-10-8/h7-8H,2-5H2,1H3/t7?,8-/m1/s1
InChIKeyBDIHDNOMSMMYTL-BRFYHDHCSA-N
MW139.20 g/mol
LogP1.72
Rot. Bonds1

About (2R)-2-[(2R)-oxan-2-yl]propanenitrile

(2R)-2-[(2R)-oxan-2-yl]propanenitrile (PubChem CID 131858834) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2R)-2-[(2R)-oxan-2-yl]propanenitrile.

Molecular Properties

Compound Name(2R)-2-[(2R)-oxan-2-yl]propanenitrile
PubChem CID131858834
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2R)-2-[(2R)-oxan-2-yl]propanenitrile
SMILESCC(C#N)[C@H]1CCCCO1
InChIInChI=1S/C8H13NO/c1-7(6-9)8-4-2-3-5-10-8/h7-8H,2-5H2,1H3/t7?,8-/m1/s1
InChIKeyBDIHDNOMSMMYTL-BRFYHDHCSA-N
XLogP1.72
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

(2R,6S)-2,6-dimethyloxane-4-carbonitrile
CID 83904881
Propanenitrile, 3-(isooctyloxy)-
CID 110086
2-(Oxan-2-yl)propanenitrile
CID 84064074
[2-Isopropyl-4-(3-methylbutyl)tetrahydropyran-4-yl]acetonitrile
CID 3786614
2-Cyclohexyl-2-methoxyacetonitrile
CID 12841228
2-(6-Methyloxan-2-yl)acetonitrile
CID 544231
6,6-Diethyloxane-2-carbonitrile
CID 14905230
2-[(2R,6R)-6-methyloxan-2-yl]acetonitrile
CID 96006035
5-Propyloxane-2-carbonitrile
CID 12151582
2-Methyloxane-4-carbonitrile
CID 13197201
5-Methyloxane-2-carbonitrile
CID 13735581
2-(3-Cyclohexyloxypropyl)hexanenitrile
CID 20379083

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R)-oxan-2-yl]propanenitrile?
The IUPAC name of (2R)-2-[(2R)-oxan-2-yl]propanenitrile (CID 131858834) is (2R)-2-[(2R)-oxan-2-yl]propanenitrile.
What is the SMILES notation for (2R)-2-[(2R)-oxan-2-yl]propanenitrile?
The canonical SMILES for (2R)-2-[(2R)-oxan-2-yl]propanenitrile is CC(C#N)[C@H]1CCCCO1.
What is the InChIKey of (2R)-2-[(2R)-oxan-2-yl]propanenitrile?
The InChIKey is BDIHDNOMSMMYTL-BRFYHDHCSA-N. The full InChI is InChI=1S/C8H13NO/c1-7(6-9)8-4-2-3-5-10-8/h7-8H,2-5H2,1H3/t7?,8-/m1/s1.
What are the key properties of (2R)-2-[(2R)-oxan-2-yl]propanenitrile?
(2R)-2-[(2R)-oxan-2-yl]propanenitrile has a molecular weight of 139.20 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R)-oxan-2-yl]propanenitrile is sourced from PubChem (CID 131858834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).