(2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile

C11H19NO — CID 131177208

IUPAC(2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
SMILESC[C@@H](C#N)[C@@H](O)C1C(C)(C)C1(C)C
InChIInChI=1S/C11H19NO/c1-7(6-12)8(13)9-10(2,3)11(9,4)5/h7-9,13H,1-5H3/t7-,8+/m0/s1
InChIKeyFZGADGJQEHHYGO-JGVFFNPUSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds2

About (2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile

(2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile (PubChem CID 131177208) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile.

Molecular Properties

Compound Name(2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
PubChem CID131177208
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
SMILESC[C@@H](C#N)[C@@H](O)C1C(C)(C)C1(C)C
InChIInChI=1S/C11H19NO/c1-7(6-12)8(13)9-10(2,3)11(9,4)5/h7-9,13H,1-5H3/t7-,8+/m0/s1
InChIKeyFZGADGJQEHHYGO-JGVFFNPUSA-N
XLogP2.19
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile?
The IUPAC name of (2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile (CID 131177208) is (2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile.
What is the SMILES notation for (2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile?
The canonical SMILES for (2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile is C[C@@H](C#N)[C@@H](O)C1C(C)(C)C1(C)C.
What is the InChIKey of (2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile?
The InChIKey is FZGADGJQEHHYGO-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H19NO/c1-7(6-12)8(13)9-10(2,3)11(9,4)5/h7-9,13H,1-5H3/t7-,8+/m0/s1.
What are the key properties of (2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile?
(2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile has a molecular weight of 181.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-hydroxy-2-methyl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile is sourced from PubChem (CID 131177208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).