(2Z,4Z)-5-(methylamino)hexa-2,4-dienal

C7H11NO — CID 134517048

IUPAC(2Z,4Z)-5-(methylamino)hexa-2,4-dienal
SMILESCN/C(C)=C\C=C/C=O
InChIInChI=1S/C7H11NO/c1-7(8-2)5-3-4-6-9/h3-6,8H,1-2H3/b4-3-,7-5-
InChIKeyXAERSOXEBMSXHX-MRWCJKGFSA-N
MW125.17 g/mol
LogP0.86
Rot. Bonds3

About (2Z,4Z)-5-(methylamino)hexa-2,4-dienal

(2Z,4Z)-5-(methylamino)hexa-2,4-dienal (PubChem CID 134517048) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2Z,4Z)-5-(methylamino)hexa-2,4-dienal.

Molecular Properties

Compound Name(2Z,4Z)-5-(methylamino)hexa-2,4-dienal
PubChem CID134517048
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2Z,4Z)-5-(methylamino)hexa-2,4-dienal
SMILESCN/C(C)=C\C=C/C=O
InChIInChI=1S/C7H11NO/c1-7(8-2)5-3-4-6-9/h3-6,8H,1-2H3/b4-3-,7-5-
InChIKeyXAERSOXEBMSXHX-MRWCJKGFSA-N
XLogP0.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-5-(methylamino)hexa-2,4-dienal?
The IUPAC name of (2Z,4Z)-5-(methylamino)hexa-2,4-dienal (CID 134517048) is (2Z,4Z)-5-(methylamino)hexa-2,4-dienal.
What is the SMILES notation for (2Z,4Z)-5-(methylamino)hexa-2,4-dienal?
The canonical SMILES for (2Z,4Z)-5-(methylamino)hexa-2,4-dienal is CN/C(C)=C\C=C/C=O.
What is the InChIKey of (2Z,4Z)-5-(methylamino)hexa-2,4-dienal?
The InChIKey is XAERSOXEBMSXHX-MRWCJKGFSA-N. The full InChI is InChI=1S/C7H11NO/c1-7(8-2)5-3-4-6-9/h3-6,8H,1-2H3/b4-3-,7-5-.
What are the key properties of (2Z,4Z)-5-(methylamino)hexa-2,4-dienal?
(2Z,4Z)-5-(methylamino)hexa-2,4-dienal has a molecular weight of 125.17 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-(methylamino)hexa-2,4-dienal is sourced from PubChem (CID 134517048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).