(3R)-3-hydroxy-2-methylpentanenitrile

C6H11NO — CID 141061922

IUPAC(3R)-3-hydroxy-2-methylpentanenitrile
SMILESCC[C@@H](O)C(C)C#N
InChIInChI=1S/C6H11NO/c1-3-6(8)5(2)4-7/h5-6,8H,3H2,1-2H3/t5?,6-/m1/s1
InChIKeyBXZISMPEMZVBMF-PRJDIBJQSA-N
MW113.16 g/mol
LogP0.92
Rot. Bonds2

About (3R)-3-hydroxy-2-methylpentanenitrile

(3R)-3-hydroxy-2-methylpentanenitrile (PubChem CID 141061922) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3R)-3-hydroxy-2-methylpentanenitrile.

Molecular Properties

Compound Name(3R)-3-hydroxy-2-methylpentanenitrile
PubChem CID141061922
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3R)-3-hydroxy-2-methylpentanenitrile
SMILESCC[C@@H](O)C(C)C#N
InChIInChI=1S/C6H11NO/c1-3-6(8)5(2)4-7/h5-6,8H,3H2,1-2H3/t5?,6-/m1/s1
InChIKeyBXZISMPEMZVBMF-PRJDIBJQSA-N
XLogP0.92
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-3-hydroxy-2-methyldecanenitrile
CID 50900060
3,5-dihydroxy-2-methylpentanenitrile;ethane
CID 142227151
3,4-dihydroxyhexanenitrile
CID 175092381
1-hydroxypropyl(trimethyl)phosphanium
CID 175448863
3-hydroxy-2-(2-hydroxyethyl)pentanenitrile
CID 54373912
(3S)-4-methoxy-5-methylhexan-3-ol
CID 59039386
2,3,3,4,4-pentamethylhexanenitrile
CID 152991691
(2R,3S)-2-methoxypentan-3-ol
CID 13427568
2-ethyl-3-hydroxyhexanenitrile
CID 79132579
2-ethyl-3-hydroxy-4-methylhexanenitrile
CID 79137275
acetonitrile;2-methylbutane;propan-2-ol;2,2,2-trifluoroacetic acid
CID 174629924
(3R)-3-ethylsulfanyl-2-methylbutanenitrile
CID 89363433

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-2-methylpentanenitrile?
The IUPAC name of (3R)-3-hydroxy-2-methylpentanenitrile (CID 141061922) is (3R)-3-hydroxy-2-methylpentanenitrile.
What is the SMILES notation for (3R)-3-hydroxy-2-methylpentanenitrile?
The canonical SMILES for (3R)-3-hydroxy-2-methylpentanenitrile is CC[C@@H](O)C(C)C#N.
What is the InChIKey of (3R)-3-hydroxy-2-methylpentanenitrile?
The InChIKey is BXZISMPEMZVBMF-PRJDIBJQSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6(8)5(2)4-7/h5-6,8H,3H2,1-2H3/t5?,6-/m1/s1.
What are the key properties of (3R)-3-hydroxy-2-methylpentanenitrile?
(3R)-3-hydroxy-2-methylpentanenitrile has a molecular weight of 113.16 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-2-methylpentanenitrile is sourced from PubChem (CID 141061922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).