(Z)-3-(diethylamino)but-2-enenitrile

C8H14N2 — CID 87071796

IUPAC(Z)-3-(diethylamino)but-2-enenitrile
SMILESCCN(CC)/C(C)=C\C#N
InChIInChI=1S/C8H14N2/c1-4-10(5-2)8(3)6-7-9/h6H,4-5H2,1-3H3/b8-6-
InChIKeyVGAORKYWLHEIRP-VURMDHGXSA-N
MW138.21 g/mol
LogP1.76
Rot. Bonds3

About (Z)-3-(diethylamino)but-2-enenitrile

(Z)-3-(diethylamino)but-2-enenitrile (PubChem CID 87071796) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is (Z)-3-(diethylamino)but-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(diethylamino)but-2-enenitrile
PubChem CID87071796
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name(Z)-3-(diethylamino)but-2-enenitrile
SMILESCCN(CC)/C(C)=C\C#N
InChIInChI=1S/C8H14N2/c1-4-10(5-2)8(3)6-7-9/h6H,4-5H2,1-3H3/b8-6-
InChIKeyVGAORKYWLHEIRP-VURMDHGXSA-N
XLogP1.76
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.76
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)-3-(diethylamino)but-2-enenitrile?
The IUPAC name of (Z)-3-(diethylamino)but-2-enenitrile (CID 87071796) is (Z)-3-(diethylamino)but-2-enenitrile.
What is the SMILES notation for (Z)-3-(diethylamino)but-2-enenitrile?
The canonical SMILES for (Z)-3-(diethylamino)but-2-enenitrile is CCN(CC)/C(C)=C\C#N.
What is the InChIKey of (Z)-3-(diethylamino)but-2-enenitrile?
The InChIKey is VGAORKYWLHEIRP-VURMDHGXSA-N. The full InChI is InChI=1S/C8H14N2/c1-4-10(5-2)8(3)6-7-9/h6H,4-5H2,1-3H3/b8-6-.
What are the key properties of (Z)-3-(diethylamino)but-2-enenitrile?
(Z)-3-(diethylamino)but-2-enenitrile has a molecular weight of 138.21 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(diethylamino)but-2-enenitrile is sourced from PubChem (CID 87071796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).