(2E,4E)-hexa-2,4-dienediamide

C6H8N2O2 — CID 55281494

IUPAC(2E,4E)-hexa-2,4-dienediamide
SMILESNC(=O)/C=C/C=C/C(N)=O
InChIInChI=1S/C6H8N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H,(H2,7,9)(H2,8,10)/b3-1+,4-2+
InChIKeyMABVABFBWKQILU-ZPUQHVIOSA-N
MW140.14 g/mol
LogP-0.93
Rot. Bonds3

About (2E,4E)-hexa-2,4-dienediamide

(2E,4E)-hexa-2,4-dienediamide (PubChem CID 55281494) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is (2E,4E)-hexa-2,4-dienediamide.

Molecular Properties

Compound Name(2E,4E)-hexa-2,4-dienediamide
PubChem CID55281494
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name(2E,4E)-hexa-2,4-dienediamide
SMILESNC(=O)/C=C/C=C/C(N)=O
InChIInChI=1S/C6H8N2O2/c7-5(9)3-1-2-4-6(8)10/h1-4H,(H2,7,9)(H2,8,10)/b3-1+,4-2+
InChIKeyMABVABFBWKQILU-ZPUQHVIOSA-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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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-hexa-2,4-dienediamide?
The IUPAC name of (2E,4E)-hexa-2,4-dienediamide (CID 55281494) is (2E,4E)-hexa-2,4-dienediamide.
What is the SMILES notation for (2E,4E)-hexa-2,4-dienediamide?
The canonical SMILES for (2E,4E)-hexa-2,4-dienediamide is NC(=O)/C=C/C=C/C(N)=O.
What is the InChIKey of (2E,4E)-hexa-2,4-dienediamide?
The InChIKey is MABVABFBWKQILU-ZPUQHVIOSA-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)/b3-1+,4-2+.
What are the key properties of (2E,4E)-hexa-2,4-dienediamide?
(2E,4E)-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 (2E,4E)-hexa-2,4-dienediamide is sourced from PubChem (CID 55281494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).