1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione

C12H20N2O2 — CID 79777088

IUPAC1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(C(C)C2CCCC2)C(=O)NC1=O
InChIInChI=1S/C12H20N2O2/c1-8-7-14(12(16)13-11(8)15)9(2)10-5-3-4-6-10/h8-10H,3-7H2,1-2H3,(H,13,15,16)
InChIKeySOXCHEXZCUXVES-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.75
Rot. Bonds2

About 1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione

1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 79777088) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione
PubChem CID79777088
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(C(C)C2CCCC2)C(=O)NC1=O
InChIInChI=1S/C12H20N2O2/c1-8-7-14(12(16)13-11(8)15)9(2)10-5-3-4-6-10/h8-10H,3-7H2,1-2H3,(H,13,15,16)
InChIKeySOXCHEXZCUXVES-UHFFFAOYSA-N
XLogP1.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

5-methyl-1-pentan-2-yl-1,3-diazinane-2,4-dione
CID 79777247
1-(1-cyclopentylethyl)-1,3-diazinane-2,4-dione
CID 79777176
5-methyl-1-(1-phenylpropan-2-yl)-1,3-diazinane-2,4-dione
CID 79777283
1-(1-cyclohexylethyl)-3,3,6-trimethylpiperazine-2,5-dione
CID 64969145
1-(1-azabicyclo[2.2.2]octan-3-yl)-5-methyl-1,3-diazinane-2,4-dione
CID 79776817
1-(1-cyclopentylethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64972256
4-(1-cyclopentylethyl)-3-methyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64972302
1-[(1S)-1-cyclohexylethyl]-4-ethenylpyrrolidin-2-one
CID 168683667
1-(1-cyclopentylethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64972264
1-(1-cyclohexylethyl)-3-methyl-6-propan-2-ylpiperazine-2,5-dione
CID 64969249
1-(1-cyclohexylethyl)-3-cyclopropyl-6-methylpiperazine-2,5-dione
CID 64969309
1-(1-cyclohexylethyl)piperidine-2,4-dione
CID 79516160

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione (CID 79777088) is 1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione is CC1CN(C(C)C2CCCC2)C(=O)NC1=O.
What is the InChIKey of 1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is SOXCHEXZCUXVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-7-14(12(16)13-11(8)15)9(2)10-5-3-4-6-10/h8-10H,3-7H2,1-2H3,(H,13,15,16).
What are the key properties of 1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione?
1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 224.30 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentylethyl)-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).