3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione

C15H18N2O2 — CID 116658407

IUPAC3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1ccccc1N1CCC(=O)N(C2CCC2)C1=O
InChIInChI=1S/C15H18N2O2/c1-11-5-2-3-8-13(11)16-10-9-14(18)17(15(16)19)12-6-4-7-12/h2-3,5,8,12H,4,6-7,9-10H2,1H3
InChIKeyZFTSZUDVUQZXPV-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.71
Rot. Bonds2

About 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione

3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione (PubChem CID 116658407) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione
PubChem CID116658407
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione
SMILESCc1ccccc1N1CCC(=O)N(C2CCC2)C1=O
InChIInChI=1S/C15H18N2O2/c1-11-5-2-3-8-13(11)16-10-9-14(18)17(15(16)19)12-6-4-7-12/h2-3,5,8,12H,4,6-7,9-10H2,1H3
InChIKeyZFTSZUDVUQZXPV-UHFFFAOYSA-N
XLogP2.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 139237469
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ethane;2-(2-methylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
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CID 79930292
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CID 171323293
1-cyclopentyl-6-(2-methylphenyl)-3-propyl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 71179514
1-(2-methylphenyl)-1,4-diazepan-2-one
CID 82282881
1,3-dicyclohexyl-1,3-diazepane-2,4,7-trione
CID 101192207
1-(2-methylphenyl)pyrrolidin-3-one
CID 23052785
3-cyclopropyl-1-phenylimidazolidine-2,4-dione
CID 62700804
1-(2-methylphenyl)diazinan-3-one
CID 15056538
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CID 17080667

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione (CID 116658407) is 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione is Cc1ccccc1N1CCC(=O)N(C2CCC2)C1=O.
What is the InChIKey of 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is ZFTSZUDVUQZXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-5-2-3-8-13(11)16-10-9-14(18)17(15(16)19)12-6-4-7-12/h2-3,5,8,12H,4,6-7,9-10H2,1H3.
What are the key properties of 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione?
3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 258.32 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(2-methylphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 116658407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).