(5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione

C11H14N2O2 — CID 124572287

IUPAC(5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione
SMILESC#CC[C@H]1NC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C11H14N2O2/c1-2-5-9-10(14)13(11(15)12-9)8-6-3-4-7-8/h1,8-9H,3-7H2,(H,12,15)/t9-/m1/s1
InChIKeyWTUJUJBGXOFMHP-SECBINFHSA-N
MW206.24 g/mol
LogP0.87
Rot. Bonds2

About (5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione

(5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione (PubChem CID 124572287) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is (5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione
PubChem CID124572287
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name(5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione
SMILESC#CC[C@H]1NC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C11H14N2O2/c1-2-5-9-10(14)13(11(15)12-9)8-6-3-4-7-8/h1,8-9H,3-7H2,(H,12,15)/t9-/m1/s1
InChIKeyWTUJUJBGXOFMHP-SECBINFHSA-N
XLogP0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione (CID 124572287) is (5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione is C#CC[C@H]1NC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of (5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione?
The InChIKey is WTUJUJBGXOFMHP-SECBINFHSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-5-9-10(14)13(11(15)12-9)8-6-3-4-7-8/h1,8-9H,3-7H2,(H,12,15)/t9-/m1/s1.
What are the key properties of (5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione?
(5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione has a molecular weight of 206.24 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-cyclopentyl-5-prop-2-ynylimidazolidine-2,4-dione is sourced from PubChem (CID 124572287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).