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

C18H20N2O3 — CID 71681701

IUPAC1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-yl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C2CCc3ccccc32)C(=O)N1C1CCCC1
InChIInChI=1S/C18H20N2O3/c21-16-11-17(22)20(18(23)19(16)13-6-2-3-7-13)15-10-9-12-5-1-4-8-14(12)15/h1,4-5,8,13,15H,2-3,6-7,9-11H2
InChIKeyKLTKEDUORSJFDN-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.80
Rot. Bonds2

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

1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-yl)-1,3-diazinane-2,4,6-trione (PubChem CID 71681701) 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-1-yl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-yl)-1,3-diazinane-2,4,6-trione
PubChem CID71681701
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-yl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(C2CCc3ccccc32)C(=O)N1C1CCCC1
InChIInChI=1S/C18H20N2O3/c21-16-11-17(22)20(18(23)19(16)13-6-2-3-7-13)15-10-9-12-5-1-4-8-14(12)15/h1,4-5,8,13,15H,2-3,6-7,9-11H2
InChIKeyKLTKEDUORSJFDN-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-yl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-yl)-1,3-diazinane-2,4,6-trione (CID 71681701) is 1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-yl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-yl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-yl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(C2CCc3ccccc32)C(=O)N1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-yl)-1,3-diazinane-2,4,6-trione?
The InChIKey is KLTKEDUORSJFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-16-11-17(22)20(18(23)19(16)13-6-2-3-7-13)15-10-9-12-5-1-4-8-14(12)15/h1,4-5,8,13,15H,2-3,6-7,9-11H2.
What are the key properties of 1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-yl)-1,3-diazinane-2,4,6-trione?
1-cyclopentyl-3-(2,3-dihydro-1H-inden-1-yl)-1,3-diazinane-2,4,6-trione has a molecular weight of 312.37 g/mol, XLogP of 2.80, 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-1-yl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 71681701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).