1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione

C18H20N2O3 — CID 71681702

IUPAC1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C2Cc3ccccc3C2)C(=O)N1C1CCCC1
InChIInChI=1S/C18H20N2O3/c21-16-11-17(22)20(18(23)19(16)14-7-3-4-8-14)15-9-12-5-1-2-6-13(12)10-15/h1-2,5-6,14-15H,3-4,7-11H2
InChIKeyNZYFKJFHWYTTTJ-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.28
Rot. Bonds2

About 1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione

1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 71681702) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione
PubChem CID71681702
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C2Cc3ccccc3C2)C(=O)N1C1CCCC1
InChIInChI=1S/C18H20N2O3/c21-16-11-17(22)20(18(23)19(16)14-7-3-4-8-14)15-9-12-5-1-2-6-13(12)10-15/h1-2,5-6,14-15H,3-4,7-11H2
InChIKeyNZYFKJFHWYTTTJ-UHFFFAOYSA-N
XLogP2.28
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-cycloheptyl-4H-isoquinoline-1,3-dione
CID 82132343
1,3-dicyclohexyl-1,3-diazepane-2,4,7-trione
CID 101192207
3-cyclohexyl-1-cyclopentylimidazolidine-2,4-dione
CID 60836782
2-cyclodecylisoindole-1,3-dione
CID 123786237
1,2,3,4,11,11a-hexahydrobenzo[b]quinolizin-6-one
CID 2752792
2-cyclopropyl-3a,4-dihydroimidazo[1,5-a]indole-1,3-dione
CID 62699680
1-cyclohexyl-3-(2,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
CID 20746519
1-cyclopentyl-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)imidazolidine-2,4,5-trione
CID 7911016
1-(2,3-dihydro-1H-inden-2-yl)-4-hydroxypyrrolidin-2-one
CID 107849710
3-cyclopropyl-1-phenylimidazolidine-2,4-dione
CID 62700804
1-cyclohexyl-4H-3,1-benzoxazin-2-one;ethane
CID 54165833
1-cyclohexylpyrrole-2,5-dione;1H-indene
CID 174803812

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione (CID 71681702) is 1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(C2Cc3ccccc3C2)C(=O)N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is NZYFKJFHWYTTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-16-11-17(22)20(18(23)19(16)14-7-3-4-8-14)15-9-12-5-1-2-6-13(12)10-15/h1-2,5-6,14-15H,3-4,7-11H2.
What are the key properties of 1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione?
1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 312.37 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,3-dihydro-1H-inden-2-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 71681702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).