(Z)-2-(dimethylamino)but-2-enenitrile

C6H10N2 — CID 88699041

IUPAC(Z)-2-(dimethylamino)but-2-enenitrile
SMILESC/C=C(/C#N)N(C)C
InChIInChI=1S/C6H10N2/c1-4-6(5-7)8(2)3/h4H,1-3H3/b6-4-
InChIKeySFQNNJKFIOOXRS-XQRVVYSFSA-N
MW110.16 g/mol
LogP0.98
Rot. Bonds1

About (Z)-2-(dimethylamino)but-2-enenitrile

(Z)-2-(dimethylamino)but-2-enenitrile (PubChem CID 88699041) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (Z)-2-(dimethylamino)but-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(dimethylamino)but-2-enenitrile
PubChem CID88699041
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(Z)-2-(dimethylamino)but-2-enenitrile
SMILESC/C=C(/C#N)N(C)C
InChIInChI=1S/C6H10N2/c1-4-6(5-7)8(2)3/h4H,1-3H3/b6-4-
InChIKeySFQNNJKFIOOXRS-XQRVVYSFSA-N
XLogP0.98
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.98
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-(dimethylamino)but-2-enenitrile?
The IUPAC name of (Z)-2-(dimethylamino)but-2-enenitrile (CID 88699041) is (Z)-2-(dimethylamino)but-2-enenitrile.
What is the SMILES notation for (Z)-2-(dimethylamino)but-2-enenitrile?
The canonical SMILES for (Z)-2-(dimethylamino)but-2-enenitrile is C/C=C(/C#N)N(C)C.
What is the InChIKey of (Z)-2-(dimethylamino)but-2-enenitrile?
The InChIKey is SFQNNJKFIOOXRS-XQRVVYSFSA-N. The full InChI is InChI=1S/C6H10N2/c1-4-6(5-7)8(2)3/h4H,1-3H3/b6-4-.
What are the key properties of (Z)-2-(dimethylamino)but-2-enenitrile?
(Z)-2-(dimethylamino)but-2-enenitrile has a molecular weight of 110.16 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(dimethylamino)but-2-enenitrile is sourced from PubChem (CID 88699041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).