N,N'-dihydroxyocta-2,6-dienediamide

C8H12N2O4 — CID 53435565

IUPACN,N'-dihydroxyocta-2,6-dienediamide
SMILESO=C(C=CCCC=CC(=O)NO)NO
InChIInChI=1S/C8H12N2O4/c11-7(9-13)5-3-1-2-4-6-8(12)10-14/h3-6,13-14H,1-2H2,(H,9,11)(H,10,12)
InChIKeyWAUMXMQJIMQTJK-UHFFFAOYSA-N
MW200.19 g/mol
LogP-0.11
Rot. Bonds5

About N,N'-dihydroxyocta-2,6-dienediamide

N,N'-dihydroxyocta-2,6-dienediamide (PubChem CID 53435565) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is N,N'-dihydroxyocta-2,6-dienediamide.

Molecular Properties

Compound NameN,N'-dihydroxyocta-2,6-dienediamide
PubChem CID53435565
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC NameN,N'-dihydroxyocta-2,6-dienediamide
SMILESO=C(C=CCCC=CC(=O)NO)NO
InChIInChI=1S/C8H12N2O4/c11-7(9-13)5-3-1-2-4-6-8(12)10-14/h3-6,13-14H,1-2H2,(H,9,11)(H,10,12)
InChIKeyWAUMXMQJIMQTJK-UHFFFAOYSA-N
XLogP-0.11
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dihydroxyocta-2,6-dienediamide?
The IUPAC name of N,N'-dihydroxyocta-2,6-dienediamide (CID 53435565) is N,N'-dihydroxyocta-2,6-dienediamide.
What is the SMILES notation for N,N'-dihydroxyocta-2,6-dienediamide?
The canonical SMILES for N,N'-dihydroxyocta-2,6-dienediamide is O=C(C=CCCC=CC(=O)NO)NO.
What is the InChIKey of N,N'-dihydroxyocta-2,6-dienediamide?
The InChIKey is WAUMXMQJIMQTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O4/c11-7(9-13)5-3-1-2-4-6-8(12)10-14/h3-6,13-14H,1-2H2,(H,9,11)(H,10,12).
What are the key properties of N,N'-dihydroxyocta-2,6-dienediamide?
N,N'-dihydroxyocta-2,6-dienediamide has a molecular weight of 200.19 g/mol, XLogP of -0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dihydroxyocta-2,6-dienediamide is sourced from PubChem (CID 53435565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).