(2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile

C11H19N — CID 163728882

IUPAC(2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile
SMILESC=C[C@](C)(C#N)[C@@H](C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-11(6,8-12)9(2)10(3,4)5/h7,9H,1H2,2-6H3/t9-,11+/m0/s1
InChIKeyKXXASPPUVSQONH-GXSJLCMTSA-N
MW165.28 g/mol
LogP3.38
Rot. Bonds2

About (2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile

(2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile (PubChem CID 163728882) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile.

Molecular Properties

Compound Name(2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile
PubChem CID163728882
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile
SMILESC=C[C@](C)(C#N)[C@@H](C)C(C)(C)C
InChIInChI=1S/C11H19N/c1-7-11(6,8-12)9(2)10(3,4)5/h7,9H,1H2,2-6H3/t9-,11+/m0/s1
InChIKeyKXXASPPUVSQONH-GXSJLCMTSA-N
XLogP3.38
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile?
The IUPAC name of (2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile (CID 163728882) is (2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile.
What is the SMILES notation for (2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile?
The canonical SMILES for (2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile is C=C[C@](C)(C#N)[C@@H](C)C(C)(C)C.
What is the InChIKey of (2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile?
The InChIKey is KXXASPPUVSQONH-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H19N/c1-7-11(6,8-12)9(2)10(3,4)5/h7,9H,1H2,2-6H3/t9-,11+/m0/s1.
What are the key properties of (2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile?
(2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile has a molecular weight of 165.28 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile is sourced from PubChem (CID 163728882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).