octa-2,6-dienediamide

C8H12N2O2 — CID 54089641

IUPACocta-2,6-dienediamide
SMILESNC(=O)C=CCCC=CC(N)=O
InChIInChI=1S/C8H12N2O2/c9-7(11)5-3-1-2-4-6-8(10)12/h3-6H,1-2H2,(H2,9,11)(H2,10,12)
InChIKeyMSYFVTLZGPOXGM-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.15
Rot. Bonds5

About octa-2,6-dienediamide

octa-2,6-dienediamide (PubChem CID 54089641) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is octa-2,6-dienediamide.

Molecular Properties

Compound Nameocta-2,6-dienediamide
PubChem CID54089641
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Nameocta-2,6-dienediamide
SMILESNC(=O)C=CCCC=CC(N)=O
InChIInChI=1S/C8H12N2O2/c9-7(11)5-3-1-2-4-6-8(10)12/h3-6H,1-2H2,(H2,9,11)(H2,10,12)
InChIKeyMSYFVTLZGPOXGM-UHFFFAOYSA-N
XLogP-0.15
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of octa-2,6-dienediamide?
The IUPAC name of octa-2,6-dienediamide (CID 54089641) is octa-2,6-dienediamide.
What is the SMILES notation for octa-2,6-dienediamide?
The canonical SMILES for octa-2,6-dienediamide is NC(=O)C=CCCC=CC(N)=O.
What is the InChIKey of octa-2,6-dienediamide?
The InChIKey is MSYFVTLZGPOXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-7(11)5-3-1-2-4-6-8(10)12/h3-6H,1-2H2,(H2,9,11)(H2,10,12).
What are the key properties of octa-2,6-dienediamide?
octa-2,6-dienediamide has a molecular weight of 168.20 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octa-2,6-dienediamide is sourced from PubChem (CID 54089641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).