(2E)-2,3-dimethyl-2-pentenenitrile

C7H11N — CID 15561853

IUPAC(E)-2,3-dimethylpent-2-enenitrile
SMILESCC/C(=C(\C)/C#N)/C
InChIInChI=1S/C7H11N/c1-4-6(2)7(3)5-8/h4H2,1-3H3/b7-6+
InChIKeyAJPJASLUZXRMMI-VOTSOKGWSA-N
MW109.17 g/mol
LogP2.20
Rot. Bonds1

About (2E)-2,3-dimethyl-2-pentenenitrile

(2E)-2,3-dimethyl-2-pentenenitrile (PubChem CID 15561853) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is (E)-2,3-dimethylpent-2-enenitrile.

Molecular Properties

Compound Name(2E)-2,3-dimethyl-2-pentenenitrile
PubChem CID15561853
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name(E)-2,3-dimethylpent-2-enenitrile
SMILESCC/C(=C(\C)/C#N)/C
InChIInChI=1S/C7H11N/c1-4-6(2)7(3)5-8/h4H2,1-3H3/b7-6+
InChIKeyAJPJASLUZXRMMI-VOTSOKGWSA-N
XLogP2.20
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity145

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2,3-dimethyl-2-pentenenitrile?
The IUPAC name of (2E)-2,3-dimethyl-2-pentenenitrile (CID 15561853) is (E)-2,3-dimethylpent-2-enenitrile.
What is the SMILES notation for (2E)-2,3-dimethyl-2-pentenenitrile?
The canonical SMILES for (2E)-2,3-dimethyl-2-pentenenitrile is CC/C(=C(\C)/C#N)/C.
What is the InChIKey of (2E)-2,3-dimethyl-2-pentenenitrile?
The InChIKey is AJPJASLUZXRMMI-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H11N/c1-4-6(2)7(3)5-8/h4H2,1-3H3/b7-6+.
What are the key properties of (2E)-2,3-dimethyl-2-pentenenitrile?
(2E)-2,3-dimethyl-2-pentenenitrile has a molecular weight of 109.17 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2,3-dimethyl-2-pentenenitrile is sourced from PubChem (CID 15561853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).