(2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile

C9H12N2 — CID 14086796

IUPAC(2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile
SMILESCN(C)/C=C\C=C/C=C\C#N
InChIInChI=1S/C9H12N2/c1-11(2)9-7-5-3-4-6-8-10/h3-7,9H,1-2H3/b5-3-,6-4-,9-7-
InChIKeyCNOJLRNPVIWVQU-DOPCVTHHSA-N
MW148.21 g/mol
LogP1.70
Rot. Bonds3

About (2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile

(2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile (PubChem CID 14086796) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile.

Molecular Properties

Compound Name(2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile
PubChem CID14086796
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile
SMILESCN(C)/C=C\C=C/C=C\C#N
InChIInChI=1S/C9H12N2/c1-11(2)9-7-5-3-4-6-8-10/h3-7,9H,1-2H3/b5-3-,6-4-,9-7-
InChIKeyCNOJLRNPVIWVQU-DOPCVTHHSA-N
XLogP1.70
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile?
The IUPAC name of (2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile (CID 14086796) is (2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile.
What is the SMILES notation for (2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile?
The canonical SMILES for (2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile is CN(C)/C=C\C=C/C=C\C#N.
What is the InChIKey of (2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile?
The InChIKey is CNOJLRNPVIWVQU-DOPCVTHHSA-N. The full InChI is InChI=1S/C9H12N2/c1-11(2)9-7-5-3-4-6-8-10/h3-7,9H,1-2H3/b5-3-,6-4-,9-7-.
What are the key properties of (2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile?
(2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile has a molecular weight of 148.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z)-7-(dimethylamino)hepta-2,4,6-trienenitrile is sourced from PubChem (CID 14086796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).