5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione

C17H26N2O2 — CID 123596660

IUPAC5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione
SMILESC=c1[nH]c(=O)c(=CC=CC(CC)CCCCCC)c(=O)[nH]1
InChIInChI=1S/C17H26N2O2/c1-4-6-7-8-10-14(5-2)11-9-12-15-16(20)18-13(3)19-17(15)21/h9,11-12,14H,3-8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYBPOTFGMIIVBKD-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.81
Rot. Bonds8

About 5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione

5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione (PubChem CID 123596660) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione
PubChem CID123596660
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione
SMILESC=c1[nH]c(=O)c(=CC=CC(CC)CCCCCC)c(=O)[nH]1
InChIInChI=1S/C17H26N2O2/c1-4-6-7-8-10-14(5-2)11-9-12-15-16(20)18-13(3)19-17(15)21/h9,11-12,14H,3-8,10H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyYBPOTFGMIIVBKD-UHFFFAOYSA-N
XLogP1.81
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione (CID 123596660) is 5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione is C=c1[nH]c(=O)c(=CC=CC(CC)CCCCCC)c(=O)[nH]1.
What is the InChIKey of 5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione?
The InChIKey is YBPOTFGMIIVBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-6-7-8-10-14(5-2)11-9-12-15-16(20)18-13(3)19-17(15)21/h9,11-12,14H,3-8,10H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione?
5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione has a molecular weight of 290.41 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyldec-2-enylidene)-2-methylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 123596660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).