(3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane

C18H26N2O2 — CID 143987049

IUPAC(3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane
SMILESCC1CCCC[C@@H]1C.N[C@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C10H10N2O2.C8H16/c11-8-6-9(13)12(10(8)14)7-4-2-1-3-5-7;1-7-5-3-4-6-8(7)2/h1-5,8H,6,11H2;7-8H,3-6H2,1-2H3/t8-;7-,8?/m00/s1
InChIKeyJPJOUAPWQMVEIM-MBHQJZITSA-N
MW302.42 g/mol
LogP3.11
Rot. Bonds1

About (3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane

(3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane (PubChem CID 143987049) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is (3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane.

Molecular Properties

Compound Name(3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane
PubChem CID143987049
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name(3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane
SMILESCC1CCCC[C@@H]1C.N[C@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C10H10N2O2.C8H16/c11-8-6-9(13)12(10(8)14)7-4-2-1-3-5-7;1-7-5-3-4-6-8(7)2/h1-5,8H,6,11H2;7-8H,3-6H2,1-2H3/t8-;7-,8?/m00/s1
InChIKeyJPJOUAPWQMVEIM-MBHQJZITSA-N
XLogP3.11
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-methylcyclopentyl)amino]-1-phenylpyrrolidine-2,5-dione
CID 63277861
(3S)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-1-phenylpyrrolidine-2,5-dione
CID 124775786
3-[(2-methylcyclopentyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 107417757
(3R)-3-[(2S)-2-methylpiperidin-1-ium-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 7074122
cyclohexyl-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]azanium
CID 7329489
cyclohexyl-(2,5-dioxo-1-phenylpyrrolidin-3-yl)azanium
CID 4743964
3-amino-1-(4-nitrophenyl)pyrrolidine-2,5-dione
CID 3749980
(3R)-3-(4-methylpiperidin-1-ium-1-yl)-1-phenylpyrrolidine-2,5-dione
CID 6922087
ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione
CID 145169692
(3S)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 124717691
(3S)-3-amino-1-(2-nitrophenyl)pyrrolidine-2,5-dione
CID 7336293
(3R)-3-(cyclopropylamino)-1-phenylpyrrolidine-2,5-dione
CID 6543666

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane?
The IUPAC name of (3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane (CID 143987049) is (3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane.
What is the SMILES notation for (3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane?
The canonical SMILES for (3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane is CC1CCCC[C@@H]1C.N[C@H]1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of (3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane?
The InChIKey is JPJOUAPWQMVEIM-MBHQJZITSA-N. The full InChI is InChI=1S/C10H10N2O2.C8H16/c11-8-6-9(13)12(10(8)14)7-4-2-1-3-5-7;1-7-5-3-4-6-8(7)2/h1-5,8H,6,11H2;7-8H,3-6H2,1-2H3/t8-;7-,8?/m00/s1.
What are the key properties of (3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane?
(3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane has a molecular weight of 302.42 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-phenylpyrrolidine-2,5-dione;(2S)-1,2-dimethylcyclohexane is sourced from PubChem (CID 143987049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).