hexa-2,4-dienediamide

C6H8N2O2 — CID 54061551

IUPAChexa-2,4-dienediamide
SMILESNC(=O)C=CC=CC(N)=O
InChIInChI=1S/C6H8N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H,(H2,7,9)(H2,8,10)
InChIKeyMABVABFBWKQILU-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.93
Rot. Bonds3

About hexa-2,4-dienediamide

hexa-2,4-dienediamide (PubChem CID 54061551) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is hexa-2,4-dienediamide.

Molecular Properties

Compound Namehexa-2,4-dienediamide
PubChem CID54061551
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Namehexa-2,4-dienediamide
SMILESNC(=O)C=CC=CC(N)=O
InChIInChI=1S/C6H8N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H,(H2,7,9)(H2,8,10)
InChIKeyMABVABFBWKQILU-UHFFFAOYSA-N
XLogP-0.93
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-Hydroxy-2,4-hexadienamide
CID 5864959
Maleamide
CID 5355656
Fumaramide
CID 446408
Sorbamide
CID 6285467
But-2-enediamide
CID 69395
Muconic acid diamide
CID 55281494
Hexa-2,4-dienoic acid amide
CID 265085
Pentadienamide
CID 12228848
Penta-2,4-dienamide
CID 53793878
Methylene-bisacrylamide
CID 53800990
2,4,6,8-Nonatetraenamide
CID 54115243
(2E,4E)-6-fluorohexa-2,4-dienamide
CID 17914041

Frequently Asked Questions

What is the IUPAC name of hexa-2,4-dienediamide?
The IUPAC name of hexa-2,4-dienediamide (CID 54061551) is hexa-2,4-dienediamide.
What is the SMILES notation for hexa-2,4-dienediamide?
The canonical SMILES for hexa-2,4-dienediamide is NC(=O)C=CC=CC(N)=O.
What is the InChIKey of hexa-2,4-dienediamide?
The InChIKey is MABVABFBWKQILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H,(H2,7,9)(H2,8,10).
What are the key properties of hexa-2,4-dienediamide?
hexa-2,4-dienediamide has a molecular weight of 140.14 g/mol, XLogP of -0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-2,4-dienediamide is sourced from PubChem (CID 54061551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).