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

C12H14N2O2 — CID 79777992

IUPAC1-(2-ethylphenyl)-1,3-diazinane-2,4-dione
SMILESCCc1ccccc1N1CCC(=O)NC1=O
InChIInChI=1S/C12H14N2O2/c1-2-9-5-3-4-6-10(9)14-8-7-11(15)13-12(14)16/h3-6H,2,7-8H2,1H3,(H,13,15,16)
InChIKeyCILOCTVXSLYVTL-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.70
Rot. Bonds2

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

1-(2-ethylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 79777992) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2-ethylphenyl)-1,3-diazinane-2,4-dione
PubChem CID79777992
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-(2-ethylphenyl)-1,3-diazinane-2,4-dione
SMILESCCc1ccccc1N1CCC(=O)NC1=O
InChIInChI=1S/C12H14N2O2/c1-2-9-5-3-4-6-10(9)14-8-7-11(15)13-12(14)16/h3-6H,2,7-8H2,1H3,(H,13,15,16)
InChIKeyCILOCTVXSLYVTL-UHFFFAOYSA-N
XLogP1.70
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 9650
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CID 4344644
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CID 11788
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CID 3846558
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CID 74464
CID 74464
CID 24898133
CID 24898133
CID 638639
CID 638639
CID 853046
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CID 747439
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CID 344385
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CID 22116532
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CID 47379737
CID 47379737

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2-ethylphenyl)-1,3-diazinane-2,4-dione (CID 79777992) is 1-(2-ethylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2-ethylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2-ethylphenyl)-1,3-diazinane-2,4-dione is CCc1ccccc1N1CCC(=O)NC1=O.
What is the InChIKey of 1-(2-ethylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is CILOCTVXSLYVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-2-9-5-3-4-6-10(9)14-8-7-11(15)13-12(14)16/h3-6H,2,7-8H2,1H3,(H,13,15,16).
What are the key properties of 1-(2-ethylphenyl)-1,3-diazinane-2,4-dione?
1-(2-ethylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 218.26 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 79777992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).