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

C9H12N2O2 — CID 126709717

IUPAC5-ethylidene-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione
SMILESC=c1n(C)c(=O)c(=CC)c(=O)n1C
InChIInChI=1S/C9H12N2O2/c1-5-7-8(12)10(3)6(2)11(4)9(7)13/h5H,2H2,1,3-4H3
InChIKeyKHPZONQVFNWIFV-UHFFFAOYSA-N
MW180.21 g/mol
LogP-1.71
Rot. Bonds

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

5-ethylidene-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione (PubChem CID 126709717) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 5-ethylidene-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name5-ethylidene-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione
PubChem CID126709717
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name5-ethylidene-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione
SMILESC=c1n(C)c(=O)c(=CC)c(=O)n1C
InChIInChI=1S/C9H12N2O2/c1-5-7-8(12)10(3)6(2)11(4)9(7)13/h5H,2H2,1,3-4H3
InChIKeyKHPZONQVFNWIFV-UHFFFAOYSA-N
XLogP-1.71
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-1.71
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-2-methylidene-1,3-diazinane-4,6-dione?
The IUPAC name of 5-ethylidene-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione (CID 126709717) is 5-ethylidene-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for 5-ethylidene-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for 5-ethylidene-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione is C=c1n(C)c(=O)c(=CC)c(=O)n1C.
What is the InChIKey of 5-ethylidene-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione?
The InChIKey is KHPZONQVFNWIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-5-7-8(12)10(3)6(2)11(4)9(7)13/h5H,2H2,1,3-4H3.
What are the key properties of 5-ethylidene-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione?
5-ethylidene-1,3-dimethyl-2-methylidene-1,3-diazinane-4,6-dione has a molecular weight of 180.21 g/mol, XLogP of -1.71, 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-2-methylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 126709717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).