methyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate

C11H14F3N3O4 — CID 2969159

IUPACmethyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate
SMILESCOC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C11H14F3N3O4/c1-21-9(20)16-10(11(12,13)14)7(18)17(8(19)15-10)6-4-2-3-5-6/h6H,2-5H2,1H3,(H,15,19)(H,16,20)
InChIKeyDGGYIXZGGIKVQR-UHFFFAOYSA-N
MW309.24 g/mol
LogP1.10
Rot. Bonds2

About methyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate

methyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate (PubChem CID 2969159) has the molecular formula C11H14F3N3O4 and a molecular weight of 309.24 g/mol. Its IUPAC name is methyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate
PubChem CID2969159
Molecular FormulaC11H14F3N3O4
Molecular Weight309.24 g/mol
Exact Mass309.09
IUPAC Namemethyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate
SMILESCOC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C11H14F3N3O4/c1-21-9(20)16-10(11(12,13)14)7(18)17(8(19)15-10)6-4-2-3-5-6/h6H,2-5H2,1H3,(H,15,19)(H,16,20)
InChIKeyDGGYIXZGGIKVQR-UHFFFAOYSA-N
XLogP1.10
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate?
The IUPAC name of methyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate (CID 2969159) is methyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate?
The canonical SMILES for methyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate is COC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of methyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate?
The InChIKey is DGGYIXZGGIKVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O4/c1-21-9(20)16-10(11(12,13)14)7(18)17(8(19)15-10)6-4-2-3-5-6/h6H,2-5H2,1H3,(H,15,19)(H,16,20).
What are the key properties of methyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate?
methyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate has a molecular weight of 309.24 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-cyclopentyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]carbamate is sourced from PubChem (CID 2969159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).