(Z)-2-tert-butylbut-2-enedinitrile

C8H10N2 — CID 14810343

IUPAC(Z)-2-tert-butylbut-2-enedinitrile
SMILESCC(C)(C)/C(C#N)=C/C#N
InChIInChI=1S/C8H10N2/c1-8(2,3)7(6-10)4-5-9/h4H,1-3H3/b7-4+
InChIKeyWGGPUYXDGYTCJX-QPJJXVBHSA-N
MW134.18 g/mol
LogP2.01
Rot. Bonds

About (Z)-2-tert-butylbut-2-enedinitrile

(Z)-2-tert-butylbut-2-enedinitrile (PubChem CID 14810343) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is (Z)-2-tert-butylbut-2-enedinitrile.

Molecular Properties

Compound Name(Z)-2-tert-butylbut-2-enedinitrile
PubChem CID14810343
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name(Z)-2-tert-butylbut-2-enedinitrile
SMILESCC(C)(C)/C(C#N)=C/C#N
InChIInChI=1S/C8H10N2/c1-8(2,3)7(6-10)4-5-9/h4H,1-3H3/b7-4+
InChIKeyWGGPUYXDGYTCJX-QPJJXVBHSA-N
XLogP2.01
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.01
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 (Z)-2-tert-butylbut-2-enedinitrile?
The IUPAC name of (Z)-2-tert-butylbut-2-enedinitrile (CID 14810343) is (Z)-2-tert-butylbut-2-enedinitrile.
What is the SMILES notation for (Z)-2-tert-butylbut-2-enedinitrile?
The canonical SMILES for (Z)-2-tert-butylbut-2-enedinitrile is CC(C)(C)/C(C#N)=C/C#N.
What is the InChIKey of (Z)-2-tert-butylbut-2-enedinitrile?
The InChIKey is WGGPUYXDGYTCJX-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H10N2/c1-8(2,3)7(6-10)4-5-9/h4H,1-3H3/b7-4+.
What are the key properties of (Z)-2-tert-butylbut-2-enedinitrile?
(Z)-2-tert-butylbut-2-enedinitrile has a molecular weight of 134.18 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-tert-butylbut-2-enedinitrile is sourced from PubChem (CID 14810343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).