7-(methylamino)hepta-2,4,6-trienal

C8H11NO — CID 54554315

IUPAC7-(methylamino)hepta-2,4,6-trienal
SMILESCNC=CC=CC=CC=O
InChIInChI=1S/C8H11NO/c1-9-7-5-3-2-4-6-8-10/h2-9H,1H3
InChIKeyZMCAADSFJJDWGP-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.03
Rot. Bonds4

About 7-(methylamino)hepta-2,4,6-trienal

7-(methylamino)hepta-2,4,6-trienal (PubChem CID 54554315) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 7-(methylamino)hepta-2,4,6-trienal.

Molecular Properties

Compound Name7-(methylamino)hepta-2,4,6-trienal
PubChem CID54554315
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name7-(methylamino)hepta-2,4,6-trienal
SMILESCNC=CC=CC=CC=O
InChIInChI=1S/C8H11NO/c1-9-7-5-3-2-4-6-8-10/h2-9H,1H3
InChIKeyZMCAADSFJJDWGP-UHFFFAOYSA-N
XLogP1.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.03
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 7-(methylamino)hepta-2,4,6-trienal?
The IUPAC name of 7-(methylamino)hepta-2,4,6-trienal (CID 54554315) is 7-(methylamino)hepta-2,4,6-trienal.
What is the SMILES notation for 7-(methylamino)hepta-2,4,6-trienal?
The canonical SMILES for 7-(methylamino)hepta-2,4,6-trienal is CNC=CC=CC=CC=O.
What is the InChIKey of 7-(methylamino)hepta-2,4,6-trienal?
The InChIKey is ZMCAADSFJJDWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-9-7-5-3-2-4-6-8-10/h2-9H,1H3.
What are the key properties of 7-(methylamino)hepta-2,4,6-trienal?
7-(methylamino)hepta-2,4,6-trienal has a molecular weight of 137.18 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(methylamino)hepta-2,4,6-trienal is sourced from PubChem (CID 54554315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).