(2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile

C12H15N2O2+ — CID 9179415

IUPAC(2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile
SMILESN#C[C@@H](c1cccc(O)c1)[NH+]1CCOCC1
InChIInChI=1S/C12H14N2O2/c13-9-12(14-4-6-16-7-5-14)10-2-1-3-11(15)8-10/h1-3,8,12,15H,4-7H2/p+1/t12-/m0/s1
InChIKeyDXFPWKHBQSEBDR-LBPRGKRZSA-O
MW219.26 g/mol
LogP-0.13
Rot. Bonds2

About (2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile

(2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile (PubChem CID 9179415) has the molecular formula C12H15N2O2+ and a molecular weight of 219.26 g/mol. Its IUPAC name is (2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile.

Molecular Properties

Compound Name(2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile
PubChem CID9179415
Molecular FormulaC12H15N2O2+
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name(2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile
SMILESN#C[C@@H](c1cccc(O)c1)[NH+]1CCOCC1
InChIInChI=1S/C12H14N2O2/c13-9-12(14-4-6-16-7-5-14)10-2-1-3-11(15)8-10/h1-3,8,12,15H,4-7H2/p+1/t12-/m0/s1
InChIKeyDXFPWKHBQSEBDR-LBPRGKRZSA-O
XLogP-0.13
TPSA57.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile
CID 5052155
(2S)-2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile
CID 6941822
2,3-dihydroxy-3-(3-hydroxyphenyl)propanenitrile
CID 171869668
3-fluoro-2-(3-hydroxyphenyl)propanenitrile
CID 131606676
(2R)-2-(azepan-1-yl)-2-(3-hydroxyphenyl)acetonitrile
CID 9179426
(2R)-2-(4-hydroxyphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)acetonitrile
CID 9106558
(2R)-2-phenyl-2-piperazine-1,4-diium-1-ylacetonitrile
CID 7131848
3-(3-hydroxyphenyl)butanenitrile
CID 77440133
2-[1-(3-hydroxyphenyl)-2,2-dimethylpropyl]propanedinitrile
CID 10680869
2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 43802702
2-anilino-2-(3-hydroxyphenyl)acetonitrile
CID 2771792
(2R)-2-chloro-2-[(R)-morpholin-4-ium-4-yl(phenyl)methyl]butanenitrile
CID 7702142

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile?
The IUPAC name of (2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile (CID 9179415) is (2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile.
What is the SMILES notation for (2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile?
The canonical SMILES for (2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile is N#C[C@@H](c1cccc(O)c1)[NH+]1CCOCC1.
What is the InChIKey of (2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile?
The InChIKey is DXFPWKHBQSEBDR-LBPRGKRZSA-O. The full InChI is InChI=1S/C12H14N2O2/c13-9-12(14-4-6-16-7-5-14)10-2-1-3-11(15)8-10/h1-3,8,12,15H,4-7H2/p+1/t12-/m0/s1.
What are the key properties of (2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile?
(2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile has a molecular weight of 219.26 g/mol, XLogP of -0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-hydroxyphenyl)-2-morpholin-4-ium-4-ylacetonitrile is sourced from PubChem (CID 9179415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).