(4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid

C12H19NO2 — CID 143939504

IUPAC(4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid
SMILESC=C(/C=C\C=C/CCC(=O)O)CN(C)C
InChIInChI=1S/C12H19NO2/c1-11(10-13(2)3)8-6-4-5-7-9-12(14)15/h4-6,8H,1,7,9-10H2,2-3H3,(H,14,15)/b5-4-,8-6-
InChIKeyYPOYDOIKODRDEC-NADLECRISA-N
MW209.29 g/mol
LogP2.08
Rot. Bonds7

About (4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid

(4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid (PubChem CID 143939504) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid.

Molecular Properties

Compound Name(4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid
PubChem CID143939504
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid
SMILESC=C(/C=C\C=C/CCC(=O)O)CN(C)C
InChIInChI=1S/C12H19NO2/c1-11(10-13(2)3)8-6-4-5-7-9-12(14)15/h4-6,8H,1,7,9-10H2,2-3H3,(H,14,15)/b5-4-,8-6-
InChIKeyYPOYDOIKODRDEC-NADLECRISA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid?
The IUPAC name of (4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid (CID 143939504) is (4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid.
What is the SMILES notation for (4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid?
The canonical SMILES for (4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid is C=C(/C=C\C=C/CCC(=O)O)CN(C)C.
What is the InChIKey of (4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid?
The InChIKey is YPOYDOIKODRDEC-NADLECRISA-N. The full InChI is InChI=1S/C12H19NO2/c1-11(10-13(2)3)8-6-4-5-7-9-12(14)15/h4-6,8H,1,7,9-10H2,2-3H3,(H,14,15)/b5-4-,8-6-.
What are the key properties of (4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid?
(4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid has a molecular weight of 209.29 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-8-[(dimethylamino)methyl]nona-4,6,8-trienoic acid is sourced from PubChem (CID 143939504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).