(2R,6S)-6-phenyloxane-2-carbonitrile

C12H13NO — CID 58035350

IUPAC(2R,6S)-6-phenyloxane-2-carbonitrile
SMILESN#C[C@H]1CCC[C@@H](c2ccccc2)O1
InChIInChI=1S/C12H13NO/c13-9-11-7-4-8-12(14-11)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-8H2/t11-,12+/m1/s1
InChIKeyGYHDGCJYZWKSKJ-NEPJUHHUSA-N
MW187.24 g/mol
LogP2.82
Rot. Bonds1

About (2R,6S)-6-phenyloxane-2-carbonitrile

(2R,6S)-6-phenyloxane-2-carbonitrile (PubChem CID 58035350) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is (2R,6S)-6-phenyloxane-2-carbonitrile.

Molecular Properties

Compound Name(2R,6S)-6-phenyloxane-2-carbonitrile
PubChem CID58035350
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name(2R,6S)-6-phenyloxane-2-carbonitrile
SMILESN#C[C@H]1CCC[C@@H](c2ccccc2)O1
InChIInChI=1S/C12H13NO/c13-9-11-7-4-8-12(14-11)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-8H2/t11-,12+/m1/s1
InChIKeyGYHDGCJYZWKSKJ-NEPJUHHUSA-N
XLogP2.82
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-2-(2-bromopropan-2-yl)-6-phenyloxane
CID 102038461
2-[(6R)-6-phenyloxan-2-yl]propan-2-ol
CID 102038459
(2R,6R)-2-phenyl-6-prop-1-en-2-yloxane
CID 25232129
(2R,6S)-2-butyl-6-phenyloxane
CID 131845672
(2S,5S)-2-methyl-5-phenyloxolane
CID 71447018
2,6-diphenylmorpholine
CID 43381979
(2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 134961607
1-phenyl-2-(6-phenyloxan-2-yl)ethanone
CID 102133371
1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine
CID 164609782
1-phenyl-2-[(2R,6S)-6-phenyloxan-2-yl]ethanone
CID 132849136
3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 66933021
6-phenyloxathiane
CID 154084177

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-6-phenyloxane-2-carbonitrile?
The IUPAC name of (2R,6S)-6-phenyloxane-2-carbonitrile (CID 58035350) is (2R,6S)-6-phenyloxane-2-carbonitrile.
What is the SMILES notation for (2R,6S)-6-phenyloxane-2-carbonitrile?
The canonical SMILES for (2R,6S)-6-phenyloxane-2-carbonitrile is N#C[C@H]1CCC[C@@H](c2ccccc2)O1.
What is the InChIKey of (2R,6S)-6-phenyloxane-2-carbonitrile?
The InChIKey is GYHDGCJYZWKSKJ-NEPJUHHUSA-N. The full InChI is InChI=1S/C12H13NO/c13-9-11-7-4-8-12(14-11)10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-8H2/t11-,12+/m1/s1.
What are the key properties of (2R,6S)-6-phenyloxane-2-carbonitrile?
(2R,6S)-6-phenyloxane-2-carbonitrile has a molecular weight of 187.24 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-6-phenyloxane-2-carbonitrile is sourced from PubChem (CID 58035350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).