4,6-diaminodeca-1,9-diene-3,8-dione

C10H16N2O2 — CID 57037804

IUPAC4,6-diaminodeca-1,9-diene-3,8-dione
SMILESC=CC(=O)CC(N)CC(N)C(=O)C=C
InChIInChI=1S/C10H16N2O2/c1-3-8(13)5-7(11)6-9(12)10(14)4-2/h3-4,7,9H,1-2,5-6,11-12H2
InChIKeyIVHBGVTYZKPMKM-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.07
Rot. Bonds7

About 4,6-diaminodeca-1,9-diene-3,8-dione

4,6-diaminodeca-1,9-diene-3,8-dione (PubChem CID 57037804) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4,6-diaminodeca-1,9-diene-3,8-dione.

Molecular Properties

Compound Name4,6-diaminodeca-1,9-diene-3,8-dione
PubChem CID57037804
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name4,6-diaminodeca-1,9-diene-3,8-dione
SMILESC=CC(=O)CC(N)CC(N)C(=O)C=C
InChIInChI=1S/C10H16N2O2/c1-3-8(13)5-7(11)6-9(12)10(14)4-2/h3-4,7,9H,1-2,5-6,11-12H2
InChIKeyIVHBGVTYZKPMKM-UHFFFAOYSA-N
XLogP-0.07
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-diaminodeca-1,9-diene-3,8-dione?
The IUPAC name of 4,6-diaminodeca-1,9-diene-3,8-dione (CID 57037804) is 4,6-diaminodeca-1,9-diene-3,8-dione.
What is the SMILES notation for 4,6-diaminodeca-1,9-diene-3,8-dione?
The canonical SMILES for 4,6-diaminodeca-1,9-diene-3,8-dione is C=CC(=O)CC(N)CC(N)C(=O)C=C.
What is the InChIKey of 4,6-diaminodeca-1,9-diene-3,8-dione?
The InChIKey is IVHBGVTYZKPMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-8(13)5-7(11)6-9(12)10(14)4-2/h3-4,7,9H,1-2,5-6,11-12H2.
What are the key properties of 4,6-diaminodeca-1,9-diene-3,8-dione?
4,6-diaminodeca-1,9-diene-3,8-dione has a molecular weight of 196.25 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diaminodeca-1,9-diene-3,8-dione is sourced from PubChem (CID 57037804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).