3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one

C9H14N2OSe — CID 168858701

IUPAC3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one
SMILESCN1CC(=O)N(C2CCCC2)C1=[Se]
InChIInChI=1S/C9H14N2OSe/c1-10-6-8(12)11(9(10)13)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyVJAPWNBCWPRELW-UHFFFAOYSA-N
MW245.18 g/mol
LogP-0.04
Rot. Bonds1

About 3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one

3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one (PubChem CID 168858701) has the molecular formula C9H14N2OSe and a molecular weight of 245.18 g/mol. Its IUPAC name is 3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one
PubChem CID168858701
Molecular FormulaC9H14N2OSe
Molecular Weight245.18 g/mol
Exact Mass246.03
IUPAC Name3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one
SMILESCN1CC(=O)N(C2CCCC2)C1=[Se]
InChIInChI=1S/C9H14N2OSe/c1-10-6-8(12)11(9(10)13)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyVJAPWNBCWPRELW-UHFFFAOYSA-N
XLogP-0.04
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one?
The IUPAC name of 3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one (CID 168858701) is 3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one.
What is the SMILES notation for 3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one?
The canonical SMILES for 3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one is CN1CC(=O)N(C2CCCC2)C1=[Se].
What is the InChIKey of 3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one?
The InChIKey is VJAPWNBCWPRELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OSe/c1-10-6-8(12)11(9(10)13)7-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of 3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one?
3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one has a molecular weight of 245.18 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methyl-2-selanylideneimidazolidin-4-one is sourced from PubChem (CID 168858701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).