(2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one

C17H26N2O2 — CID 11369789

IUPAC(2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one
SMILESCN1C(=O)[C@](C)(C#CC2=CCCCC2)N(O)[C@H]1C(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-16(2,3)14-18(5)15(20)17(4,19(14)21)12-11-13-9-7-6-8-10-13/h9,14,21H,6-8,10H2,1-5H3/t14-,17-/m0/s1
InChIKeyYCSCAQZWDGYSPK-YOEHRIQHSA-N
MW290.41 g/mol
LogP2.78
Rot. Bonds

About (2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one

(2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one (PubChem CID 11369789) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one.

Molecular Properties

Compound Name(2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one
PubChem CID11369789
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one
SMILESCN1C(=O)[C@](C)(C#CC2=CCCCC2)N(O)[C@H]1C(C)(C)C
InChIInChI=1S/C17H26N2O2/c1-16(2,3)14-18(5)15(20)17(4,19(14)21)12-11-13-9-7-6-8-10-13/h9,14,21H,6-8,10H2,1-5H3/t14-,17-/m0/s1
InChIKeyYCSCAQZWDGYSPK-YOEHRIQHSA-N
XLogP2.78
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one?
The IUPAC name of (2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one (CID 11369789) is (2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one.
What is the SMILES notation for (2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one?
The canonical SMILES for (2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one is CN1C(=O)[C@](C)(C#CC2=CCCCC2)N(O)[C@H]1C(C)(C)C.
What is the InChIKey of (2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one?
The InChIKey is YCSCAQZWDGYSPK-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-16(2,3)14-18(5)15(20)17(4,19(14)21)12-11-13-9-7-6-8-10-13/h9,14,21H,6-8,10H2,1-5H3/t14-,17-/m0/s1.
What are the key properties of (2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one?
(2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one has a molecular weight of 290.41 g/mol, XLogP of 2.78, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-tert-butyl-5-[2-(cyclohexen-1-yl)ethynyl]-1-hydroxy-3,5-dimethylimidazolidin-4-one is sourced from PubChem (CID 11369789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).