(Z)-2,2-dimethylpent-3-enenitrile

C7H11N — CID 154451145

IUPAC(Z)-2,2-dimethylpent-3-enenitrile
SMILESC/C=C\C(C)(C)C#N
InChIInChI=1S/C7H11N/c1-4-5-7(2,3)6-8/h4-5H,1-3H3/b5-4-
InChIKeySAQGMUUCSOJQMG-PLNGDYQASA-N
MW109.17 g/mol
LogP2.11
Rot. Bonds1

About (Z)-2,2-dimethylpent-3-enenitrile

(Z)-2,2-dimethylpent-3-enenitrile (PubChem CID 154451145) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (Z)-2,2-dimethylpent-3-enenitrile.

Molecular Properties

Compound Name(Z)-2,2-dimethylpent-3-enenitrile
PubChem CID154451145
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(Z)-2,2-dimethylpent-3-enenitrile
SMILESC/C=C\C(C)(C)C#N
InChIInChI=1S/C7H11N/c1-4-5-7(2,3)6-8/h4-5H,1-3H3/b5-4-
InChIKeySAQGMUUCSOJQMG-PLNGDYQASA-N
XLogP2.11
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.11
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 (Z)-2,2-dimethylpent-3-enenitrile?
The IUPAC name of (Z)-2,2-dimethylpent-3-enenitrile (CID 154451145) is (Z)-2,2-dimethylpent-3-enenitrile.
What is the SMILES notation for (Z)-2,2-dimethylpent-3-enenitrile?
The canonical SMILES for (Z)-2,2-dimethylpent-3-enenitrile is C/C=C\C(C)(C)C#N.
What is the InChIKey of (Z)-2,2-dimethylpent-3-enenitrile?
The InChIKey is SAQGMUUCSOJQMG-PLNGDYQASA-N. The full InChI is InChI=1S/C7H11N/c1-4-5-7(2,3)6-8/h4-5H,1-3H3/b5-4-.
What are the key properties of (Z)-2,2-dimethylpent-3-enenitrile?
(Z)-2,2-dimethylpent-3-enenitrile has a molecular weight of 109.17 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-dimethylpent-3-enenitrile is sourced from PubChem (CID 154451145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).