(E)-2,3-diethylbut-2-enedinitrile

C8H10N2 — CID 15736256

IUPAC(E)-2,3-diethylbut-2-enedinitrile
SMILESCC/C(C#N)=C(\C#N)CC
InChIInChI=1S/C8H10N2/c1-3-7(5-9)8(4-2)6-10/h3-4H2,1-2H3/b8-7+
InChIKeyKUQKLPKPVRRQCZ-BQYQJAHWSA-N
MW134.18 g/mol
LogP2.15
Rot. Bonds2

About (E)-2,3-diethylbut-2-enedinitrile

(E)-2,3-diethylbut-2-enedinitrile (PubChem CID 15736256) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (E)-2,3-diethylbut-2-enedinitrile.

Molecular Properties

Compound Name(E)-2,3-diethylbut-2-enedinitrile
PubChem CID15736256
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(E)-2,3-diethylbut-2-enedinitrile
SMILESCC/C(C#N)=C(\C#N)CC
InChIInChI=1S/C8H10N2/c1-3-7(5-9)8(4-2)6-10/h3-4H2,1-2H3/b8-7+
InChIKeyKUQKLPKPVRRQCZ-BQYQJAHWSA-N
XLogP2.15
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-2,3-diethylbut-2-enedinitrile?
The IUPAC name of (E)-2,3-diethylbut-2-enedinitrile (CID 15736256) is (E)-2,3-diethylbut-2-enedinitrile.
What is the SMILES notation for (E)-2,3-diethylbut-2-enedinitrile?
The canonical SMILES for (E)-2,3-diethylbut-2-enedinitrile is CC/C(C#N)=C(\C#N)CC.
What is the InChIKey of (E)-2,3-diethylbut-2-enedinitrile?
The InChIKey is KUQKLPKPVRRQCZ-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-7(5-9)8(4-2)6-10/h3-4H2,1-2H3/b8-7+.
What are the key properties of (E)-2,3-diethylbut-2-enedinitrile?
(E)-2,3-diethylbut-2-enedinitrile has a molecular weight of 134.18 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-diethylbut-2-enedinitrile is sourced from PubChem (CID 15736256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).