1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione

C11H18N2O2 — CID 79776985

IUPAC1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione
SMILESCC1CCC(N2CCC(=O)NC2=O)CC1
InChIInChI=1S/C11H18N2O2/c1-8-2-4-9(5-3-8)13-7-6-10(14)12-11(13)15/h8-9H,2-7H2,1H3,(H,12,14,15)
InChIKeyCNYQNGOGBLHOAO-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.51
Rot. Bonds1

About 1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione

1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione (PubChem CID 79776985) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione
PubChem CID79776985
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione
SMILESCC1CCC(N2CCC(=O)NC2=O)CC1
InChIInChI=1S/C11H18N2O2/c1-8-2-4-9(5-3-8)13-7-6-10(14)12-11(13)15/h8-9H,2-7H2,1H3,(H,12,14,15)
InChIKeyCNYQNGOGBLHOAO-UHFFFAOYSA-N
XLogP1.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylcyclopentyl)-1,3-diazinane-2,4-dione
CID 79777374
1-(3,3-difluorocyclobutyl)-1,3-diazinane-2,4-dione
CID 164651877
1-piperidin-3-yl-1,3-diazinane-2,4-dione
CID 75607085
1-(2,2-diethyloxan-4-yl)-1,3-diazinane-2,4-dione
CID 83039447
8-cyclopropyl-1,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,5-b][1,4]diazepin-5-one
CID 79288414
5-cyclopropyl-6-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 115554226
1-(1,1-dioxothian-4-yl)-3-methyl-1,4-diazepane-2,5-dione
CID 64960953
3-tert-butyl-1-cyclopropyl-1,4-diazepane-2,5-dione
CID 64958485
1-cyclopropyl-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64958484
5-cyclopropyl-7,8-dimethoxy-3,4-dihydro-1H-1,5-benzodiazepin-2-one
CID 83008695
1-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,3-diazinane-2,4-dione
CID 79777687
4-methyl-1-(4-methylcyclohexyl)piperazin-2-one
CID 58893252

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione (CID 79776985) is 1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione is CC1CCC(N2CCC(=O)NC2=O)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione?
The InChIKey is CNYQNGOGBLHOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-8-2-4-9(5-3-8)13-7-6-10(14)12-11(13)15/h8-9H,2-7H2,1H3,(H,12,14,15).
What are the key properties of 1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione?
1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione has a molecular weight of 210.28 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79776985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).