2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile

C10H14N4 — CID 5363048

IUPAC2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile
SMILESCN(C)/C=C(/C=C(C#N)C#N)N(C)C
InChIInChI=1S/C10H14N4/c1-13(2)8-10(14(3)4)5-9(6-11)7-12/h5,8H,1-4H3/b10-8-
InChIKeyRQMKRJVXZRWSTA-NTMALXAHSA-N
MW190.25 g/mol
LogP0.92
Rot. Bonds3

About 2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile

2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile (PubChem CID 5363048) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile
PubChem CID5363048
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile
SMILESCN(C)/C=C(/C=C(C#N)C#N)N(C)C
InChIInChI=1S/C10H14N4/c1-13(2)8-10(14(3)4)5-9(6-11)7-12/h5,8H,1-4H3/b10-8-
InChIKeyRQMKRJVXZRWSTA-NTMALXAHSA-N
XLogP0.92
TPSA54.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile?
The IUPAC name of 2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile (CID 5363048) is 2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile.
What is the SMILES notation for 2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile?
The canonical SMILES for 2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile is CN(C)/C=C(/C=C(C#N)C#N)N(C)C.
What is the InChIKey of 2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile?
The InChIKey is RQMKRJVXZRWSTA-NTMALXAHSA-N. The full InChI is InChI=1S/C10H14N4/c1-13(2)8-10(14(3)4)5-9(6-11)7-12/h5,8H,1-4H3/b10-8-.
What are the key properties of 2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile?
2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile has a molecular weight of 190.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2,3-bis(dimethylamino)prop-2-enylidene]propanedinitrile is sourced from PubChem (CID 5363048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).