(2R)-2,3,3-trimethylpent-4-enenitrile

C8H13N — CID 163689292

IUPAC(2R)-2,3,3-trimethylpent-4-enenitrile
SMILESC=CC(C)(C)[C@@H](C)C#N
InChIInChI=1S/C8H13N/c1-5-8(3,4)7(2)6-9/h5,7H,1H2,2-4H3/t7-/m0/s1
InChIKeyJRNXTNLQKDJRJF-ZETCQYMHSA-N
MW123.20 g/mol
LogP2.36
Rot. Bonds2

About (2R)-2,3,3-trimethylpent-4-enenitrile

(2R)-2,3,3-trimethylpent-4-enenitrile (PubChem CID 163689292) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2R)-2,3,3-trimethylpent-4-enenitrile.

Molecular Properties

Compound Name(2R)-2,3,3-trimethylpent-4-enenitrile
PubChem CID163689292
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2R)-2,3,3-trimethylpent-4-enenitrile
SMILESC=CC(C)(C)[C@@H](C)C#N
InChIInChI=1S/C8H13N/c1-5-8(3,4)7(2)6-9/h5,7H,1H2,2-4H3/t7-/m0/s1
InChIKeyJRNXTNLQKDJRJF-ZETCQYMHSA-N
XLogP2.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-aminosulfanyl-2,3-dimethylbutanenitrile
CID 174965990
2,3,3,4,4-pentamethylpentanenitrile
CID 130181937
2,3,3,4,4-pentamethylhexanenitrile
CID 152991691
(2S,3S)-2-ethenyl-2,3,4,4-tetramethylpentanenitrile
CID 163728882
ethane;3,3,4-trimethylhepta-1,6-diene
CID 142059658
2,3,3-trimethylpentanedinitrile
CID 20521420
3-methanidyl-2-methyl-3-phosphanylbutanenitrile;yttrium
CID 59648978
2,3,3-trimethylpent-4-enoic acid
CID 549584
1,2,3-trimethylhexane-1,3,5-tricarbonitrile
CID 122418973
buta-1,3-diene;2-methylbut-3-enenitrile
CID 160597489
2,4-dimethyl-3-propan-2-ylpentanenitrile
CID 59610837
3-butyl-2,3-dimethylnonanenitrile
CID 167110400

Frequently Asked Questions

What is the IUPAC name of (2R)-2,3,3-trimethylpent-4-enenitrile?
The IUPAC name of (2R)-2,3,3-trimethylpent-4-enenitrile (CID 163689292) is (2R)-2,3,3-trimethylpent-4-enenitrile.
What is the SMILES notation for (2R)-2,3,3-trimethylpent-4-enenitrile?
The canonical SMILES for (2R)-2,3,3-trimethylpent-4-enenitrile is C=CC(C)(C)[C@@H](C)C#N.
What is the InChIKey of (2R)-2,3,3-trimethylpent-4-enenitrile?
The InChIKey is JRNXTNLQKDJRJF-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N/c1-5-8(3,4)7(2)6-9/h5,7H,1H2,2-4H3/t7-/m0/s1.
What are the key properties of (2R)-2,3,3-trimethylpent-4-enenitrile?
(2R)-2,3,3-trimethylpent-4-enenitrile has a molecular weight of 123.20 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3,3-trimethylpent-4-enenitrile is sourced from PubChem (CID 163689292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).