1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one

C20H30N2O4 — CID 39354226

IUPAC1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C([C@]2(O)CCN(C3CCCCC3)C2=O)CN1C1CCCCC1
InChIInChI=1S/C20H30N2O4/c23-17-16(13-22(18(17)24)15-9-5-2-6-10-15)20(26)11-12-21(19(20)25)14-7-3-1-4-8-14/h14-15,23,26H,1-13H2/t20-/m1/s1
InChIKeyLIVNHDFRXBUTKH-HXUWFJFHSA-N
MW362.47 g/mol
LogP2.27
Rot. Bonds3

About 1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one

1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one (PubChem CID 39354226) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one
PubChem CID39354226
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one
SMILESO=C1C(O)=C([C@]2(O)CCN(C3CCCCC3)C2=O)CN1C1CCCCC1
InChIInChI=1S/C20H30N2O4/c23-17-16(13-22(18(17)24)15-9-5-2-6-10-15)20(26)11-12-21(19(20)25)14-7-3-1-4-8-14/h14-15,23,26H,1-13H2/t20-/m1/s1
InChIKeyLIVNHDFRXBUTKH-HXUWFJFHSA-N
XLogP2.27
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-[(3S)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one
CID 39354222
(3S)-1-cyclohexyl-3-[(3R,4R)-1-cyclohexyl-4-hydroxy-5-oxopyrrolidin-3-yl]-3-hydroxypyrrolidin-2-one
CID 39352606
4-hydroxy-5-oxo-1-piperidin-4-yl-2H-pyrrole-3-carboxylic acid
CID 54691775
1-cycloheptyl-3-hydroxypiperidin-2-one
CID 117014090
(1S,8R)-6-cyclohexyl-8-methyl-2-oxa-6-azabicyclo[6.1.0]nonan-7-one
CID 132528243
4-cyclopentyl-1,4-diazaspiro[5.5]undecane-2,5-dione
CID 64958417
3-amino-1-cyclohexyl-4-piperidin-1-yl-2H-pyrrol-5-one
CID 91701070
(3S)-3-bromo-1-cyclohexylpyrrolidin-2-one
CID 124508773
(3S)-1-cyclohexyl-3-methylpyrrolidin-2-one
CID 143051215
1-cycloheptyl-3-methylpyrrolidin-2-one
CID 91284364
6-cyclohexyl-4-phenyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 110273787
2-cyclooctyl-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
CID 79929941

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one (CID 39354226) is 1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one is O=C1C(O)=C([C@]2(O)CCN(C3CCCCC3)C2=O)CN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one?
The InChIKey is LIVNHDFRXBUTKH-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H30N2O4/c23-17-16(13-22(18(17)24)15-9-5-2-6-10-15)20(26)11-12-21(19(20)25)14-7-3-1-4-8-14/h14-15,23,26H,1-13H2/t20-/m1/s1.
What are the key properties of 1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one?
1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one has a molecular weight of 362.47 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(3R)-1-cyclohexyl-3-hydroxy-2-oxopyrrolidin-3-yl]-4-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 39354226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).