5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione

C11H16N2O2 — CID 123947707

IUPAC5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione
SMILESCC=c1c(=O)n(C)c(=O)n(C)c1=C(C)C
InChIInChI=1S/C11H16N2O2/c1-6-8-9(7(2)3)12(4)11(15)13(5)10(8)14/h6H,1-5H3
InChIKeyKZHCNLXMHMBRSJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.93
Rot. Bonds

About 5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione

5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione (PubChem CID 123947707) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione
PubChem CID123947707
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione
SMILESCC=c1c(=O)n(C)c(=O)n(C)c1=C(C)C
InChIInChI=1S/C11H16N2O2/c1-6-8-9(7(2)3)12(4)11(15)13(5)10(8)14/h6H,1-5H3
InChIKeyKZHCNLXMHMBRSJ-UHFFFAOYSA-N
XLogP-0.93
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione?
The IUPAC name of 5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione (CID 123947707) is 5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione is CC=c1c(=O)n(C)c(=O)n(C)c1=C(C)C.
What is the InChIKey of 5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione?
The InChIKey is KZHCNLXMHMBRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-6-8-9(7(2)3)12(4)11(15)13(5)10(8)14/h6H,1-5H3.
What are the key properties of 5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione?
5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione has a molecular weight of 208.26 g/mol, XLogP of -0.93, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-1,3-dimethyl-6-propan-2-ylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 123947707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).