ethane;(3R)-3-phenylpyrrolidine-2,5-dione

C12H15NO2 — CID 91585654

IUPACethane;(3R)-3-phenylpyrrolidine-2,5-dione
SMILESCC.O=C1C[C@H](c2ccccc2)C(=O)N1
InChIInChI=1S/C10H9NO2.C2H6/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7;1-2/h1-5,8H,6H2,(H,11,12,13);1-2H3/t8-;/m1./s1
InChIKeyPPCPRNIZLSRAKZ-DDWIOCJRSA-N
MW205.26 g/mol
LogP1.84
Rot. Bonds1

About ethane;(3R)-3-phenylpyrrolidine-2,5-dione

ethane;(3R)-3-phenylpyrrolidine-2,5-dione (PubChem CID 91585654) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is ethane;(3R)-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethane;(3R)-3-phenylpyrrolidine-2,5-dione
PubChem CID91585654
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Nameethane;(3R)-3-phenylpyrrolidine-2,5-dione
SMILESCC.O=C1C[C@H](c2ccccc2)C(=O)N1
InChIInChI=1S/C10H9NO2.C2H6/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7;1-2/h1-5,8H,6H2,(H,11,12,13);1-2H3/t8-;/m1./s1
InChIKeyPPCPRNIZLSRAKZ-DDWIOCJRSA-N
XLogP1.84
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-phenylpyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 161444852
3-naphthalen-2-ylpyrrolidine-2,5-dione
CID 102081693
4-phenyl-3-propan-2-ylpiperidine-2,6-dione
CID 79321338
3-(4-cyclohexylphenyl)pyrrolidine-2,5-dione
CID 82120778
(7S)-7-phenyl-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
CID 42559090
6-bromo-4-phenyl-3,4-dihydro-1H-quinolin-2-one;ethane
CID 91416238
3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
CID 3071135
3-(3-methoxyphenyl)pyrrolidine-2,5-dione;tribromoborane
CID 157349957
7-methyl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 105499107
(3S,7R,9Z,12R)-3,7,12-triphenyl-1,6-diazacyclododec-9-ene-2,5-dione
CID 71759600
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
(4S)-4-phenyl-3,4-dihydro-1H-benzo[g]quinoline-2,5,10-trione
CID 154720448

Frequently Asked Questions

What is the IUPAC name of ethane;(3R)-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of ethane;(3R)-3-phenylpyrrolidine-2,5-dione (CID 91585654) is ethane;(3R)-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for ethane;(3R)-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for ethane;(3R)-3-phenylpyrrolidine-2,5-dione is CC.O=C1C[C@H](c2ccccc2)C(=O)N1.
What is the InChIKey of ethane;(3R)-3-phenylpyrrolidine-2,5-dione?
The InChIKey is PPCPRNIZLSRAKZ-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H9NO2.C2H6/c12-9-6-8(10(13)11-9)7-4-2-1-3-5-7;1-2/h1-5,8H,6H2,(H,11,12,13);1-2H3/t8-;/m1./s1.
What are the key properties of ethane;(3R)-3-phenylpyrrolidine-2,5-dione?
ethane;(3R)-3-phenylpyrrolidine-2,5-dione has a molecular weight of 205.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3R)-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 91585654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).