3-hydroxyocta-2,6-dienediamide

C8H12N2O3 — CID 173137531

IUPAC3-hydroxyocta-2,6-dienediamide
SMILESNC(=O)C=CCCC(O)=CC(N)=O
InChIInChI=1S/C8H12N2O3/c9-7(12)4-2-1-3-6(11)5-8(10)13/h2,4-5,11H,1,3H2,(H2,9,12)(H2,10,13)
InChIKeyFUHWMWIULVMYTM-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.26
Rot. Bonds5

About 3-hydroxyocta-2,6-dienediamide

3-hydroxyocta-2,6-dienediamide (PubChem CID 173137531) has the molecular formula C8H12N2O3 and a molecular weight of 184.20 g/mol. Its IUPAC name is 3-hydroxyocta-2,6-dienediamide.

Molecular Properties

Compound Name3-hydroxyocta-2,6-dienediamide
PubChem CID173137531
Molecular FormulaC8H12N2O3
Molecular Weight184.20 g/mol
Exact Mass184.08
IUPAC Name3-hydroxyocta-2,6-dienediamide
SMILESNC(=O)C=CCCC(O)=CC(N)=O
InChIInChI=1S/C8H12N2O3/c9-7(12)4-2-1-3-6(11)5-8(10)13/h2,4-5,11H,1,3H2,(H2,9,12)(H2,10,13)
InChIKeyFUHWMWIULVMYTM-UHFFFAOYSA-N
XLogP-0.26
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxyocta-2,6-dienediamide?
The IUPAC name of 3-hydroxyocta-2,6-dienediamide (CID 173137531) is 3-hydroxyocta-2,6-dienediamide.
What is the SMILES notation for 3-hydroxyocta-2,6-dienediamide?
The canonical SMILES for 3-hydroxyocta-2,6-dienediamide is NC(=O)C=CCCC(O)=CC(N)=O.
What is the InChIKey of 3-hydroxyocta-2,6-dienediamide?
The InChIKey is FUHWMWIULVMYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c9-7(12)4-2-1-3-6(11)5-8(10)13/h2,4-5,11H,1,3H2,(H2,9,12)(H2,10,13).
What are the key properties of 3-hydroxyocta-2,6-dienediamide?
3-hydroxyocta-2,6-dienediamide has a molecular weight of 184.20 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyocta-2,6-dienediamide is sourced from PubChem (CID 173137531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).