2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

C13H20N2O3 — CID 43558111

IUPAC2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCOC1CC2C(=O)N(C3CCCCC3)C(=O)N2C1
InChIInChI=1S/C13H20N2O3/c1-18-10-7-11-12(16)15(13(17)14(11)8-10)9-5-3-2-4-6-9/h9-11H,2-8H2,1H3
InChIKeyFZTOVGGBGOKVEP-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.37
Rot. Bonds2

About 2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione

2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (PubChem CID 43558111) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.

Molecular Properties

Compound Name2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
PubChem CID43558111
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
SMILESCOC1CC2C(=O)N(C3CCCCC3)C(=O)N2C1
InChIInChI=1S/C13H20N2O3/c1-18-10-7-11-12(16)15(13(17)14(11)8-10)9-5-3-2-4-6-9/h9-11H,2-8H2,1H3
InChIKeyFZTOVGGBGOKVEP-UHFFFAOYSA-N
XLogP1.37
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.37
H-Bond Donors ≤ 50
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-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 10082909
(6R,7aR)-6-methoxy-2-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 124728860
(6R,7aS)-6-methoxy-2-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 124728858
(6R,7aR)-6-methoxy-2-[(3S,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 124729104
(6R,7aR)-6-methoxy-2-[(3R,5S)-5-methyl-2-oxo-1-phenylpyrrolidin-3-yl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 124729107
4-amino-11-methoxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,8-dione
CID 3875204
(6R)-2-cyclohexyl-6-hydroxy-3-sulfanylidene-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-1-one
CID 10610972
2-cyclohexyl-3a,4,4a,5,6,7,8,8a-octahydroimidazo[1,5-a]indole-1,3-dione
CID 43558023
(7aS)-2-cyclopropyl-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 130622288
N-(11-methoxy-2,8-dioxo-1,7-diazatricyclo[7.3.0.03,7]dodecan-4-yl)cyclobutanecarboxamide
CID 3703994
N,2-dicyclohexyl-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 85006133
4-cyclopropyl-4,6-diazatricyclo[6.3.0.02,6]undecane-3,5-dione
CID 102894872

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The IUPAC name of 2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione (CID 43558111) is 2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione.
What is the SMILES notation for 2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The canonical SMILES for 2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is COC1CC2C(=O)N(C3CCCCC3)C(=O)N2C1.
What is the InChIKey of 2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
The InChIKey is FZTOVGGBGOKVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-18-10-7-11-12(16)15(13(17)14(11)8-10)9-5-3-2-4-6-9/h9-11H,2-8H2,1H3.
What are the key properties of 2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione?
2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione has a molecular weight of 252.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-methoxy-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione is sourced from PubChem (CID 43558111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).