2-ethenyl-2,5-dimethylhex-4-enenitrile

C10H15N — CID 3024858

IUPAC2-ethenyl-2,5-dimethylhex-4-enenitrile
SMILESC=CC(C)(C#N)CC=C(C)C
InChIInChI=1S/C10H15N/c1-5-10(4,8-11)7-6-9(2)3/h5-6H,1,7H2,2-4H3
InChIKeyLQOKMYRSZCREEC-UHFFFAOYSA-N
MW149.24 g/mol
LogP3.06
Rot. Bonds3

About 2-ethenyl-2,5-dimethylhex-4-enenitrile

2-ethenyl-2,5-dimethylhex-4-enenitrile (PubChem CID 3024858) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-ethenyl-2,5-dimethylhex-4-enenitrile.

Molecular Properties

Compound Name2-ethenyl-2,5-dimethylhex-4-enenitrile
PubChem CID3024858
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name2-ethenyl-2,5-dimethylhex-4-enenitrile
SMILESC=CC(C)(C#N)CC=C(C)C
InChIInChI=1S/C10H15N/c1-5-10(4,8-11)7-6-9(2)3/h5-6H,1,7H2,2-4H3
InChIKeyLQOKMYRSZCREEC-UHFFFAOYSA-N
XLogP3.06
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.06
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 2-ethenyl-2,5-dimethylhex-4-enenitrile?
The IUPAC name of 2-ethenyl-2,5-dimethylhex-4-enenitrile (CID 3024858) is 2-ethenyl-2,5-dimethylhex-4-enenitrile.
What is the SMILES notation for 2-ethenyl-2,5-dimethylhex-4-enenitrile?
The canonical SMILES for 2-ethenyl-2,5-dimethylhex-4-enenitrile is C=CC(C)(C#N)CC=C(C)C.
What is the InChIKey of 2-ethenyl-2,5-dimethylhex-4-enenitrile?
The InChIKey is LQOKMYRSZCREEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-5-10(4,8-11)7-6-9(2)3/h5-6H,1,7H2,2-4H3.
What are the key properties of 2-ethenyl-2,5-dimethylhex-4-enenitrile?
2-ethenyl-2,5-dimethylhex-4-enenitrile has a molecular weight of 149.24 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2,5-dimethylhex-4-enenitrile is sourced from PubChem (CID 3024858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).