4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione

C13H18N2O2 — CID 174281971

IUPAC4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione
SMILESCCC1c2[nH]c(=O)n(C3CCCCC3)c(=O)c21
InChIInChI=1S/C13H18N2O2/c1-2-9-10-11(9)14-13(17)15(12(10)16)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,14,17)
InChIKeyHZLDLTCJBRNUOT-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.90
Rot. Bonds2

About 4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione

4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione (PubChem CID 174281971) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione.

Molecular Properties

Compound Name4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione
PubChem CID174281971
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione
SMILESCCC1c2[nH]c(=O)n(C3CCCCC3)c(=O)c21
InChIInChI=1S/C13H18N2O2/c1-2-9-10-11(9)14-13(17)15(12(10)16)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,14,17)
InChIKeyHZLDLTCJBRNUOT-UHFFFAOYSA-N
XLogP1.90
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione?
The IUPAC name of 4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione (CID 174281971) is 4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione.
What is the SMILES notation for 4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione?
The canonical SMILES for 4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione is CCC1c2[nH]c(=O)n(C3CCCCC3)c(=O)c21.
What is the InChIKey of 4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione?
The InChIKey is HZLDLTCJBRNUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-9-10-11(9)14-13(17)15(12(10)16)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,14,17).
What are the key properties of 4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione?
4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione has a molecular weight of 234.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-7-ethyl-2,4-diazabicyclo[4.1.0]hept-1(6)-ene-3,5-dione is sourced from PubChem (CID 174281971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).