(6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C12H18N2O3 — CID 10082909

IUPAC(6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2C[C@@H](O)CN2C(=O)N1C1CCCCC1
InChIInChI=1S/C12H18N2O3/c15-9-6-10-11(16)14(12(17)13(10)7-9)8-4-2-1-3-5-8/h8-10,15H,1-7H2/t9-,10?/m1/s1
InChIKeyZGORDVOIVSNVGM-YHMJZVADSA-N
MW238.29 g/mol
LogP0.72
Rot. Bonds1

About (6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

(6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 10082909) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name(6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID10082909
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESO=C1C2C[C@@H](O)CN2C(=O)N1C1CCCCC1
InChIInChI=1S/C12H18N2O3/c15-9-6-10-11(16)14(12(17)13(10)7-9)8-4-2-1-3-5-8/h8-10,15H,1-7H2/t9-,10?/m1/s1
InChIKeyZGORDVOIVSNVGM-YHMJZVADSA-N
XLogP0.72
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6R)-2-cyclohexyl-6-hydroxy-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
CID 10610972
2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 43558111
2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
CID 43558023
(6R,7aS)-2-[(1R)-4-bromo-2,3-dihydro-1H-inden-1-yl]-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 99797440
1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinane-5-carboxylic acid
CID 171716389
N,2-dicyclohexyl-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 85006133
(6R,7aS)-2-(3,5-dichlorophenyl)-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 58840802
(8aR)-2-cyclohexyl-7-(morpholine-4-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 7161705
(7aS)-2-cyclopropyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 130622288
6-cyclohexyl-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-7-one
CID 3883467
1,3-dicyclohexyl-N-methyl-2,4,6-trioxo-1,3-diazinane-5-carboxamide
CID 176561401
3-cyclohexyl-1-cyclopentylimidazolidine-2,4-dione
CID 60836782

Frequently Asked Questions

What is the IUPAC name of (6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of (6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 10082909) is (6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for (6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for (6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is O=C1C2C[C@@H](O)CN2C(=O)N1C1CCCCC1.
What is the InChIKey of (6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is ZGORDVOIVSNVGM-YHMJZVADSA-N. The full InChI is InChI=1S/C12H18N2O3/c15-9-6-10-11(16)14(12(17)13(10)7-9)8-4-2-1-3-5-8/h8-10,15H,1-7H2/t9-,10?/m1/s1.
What are the key properties of (6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
(6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 238.29 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-cyclohexyl-6-hydroxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 10082909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).