2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal

C15H17NO3 — CID 102257740

IUPAC2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal
SMILESCCC(C)(C=O)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H17NO3/c1-3-15(2,10-17)12-9-13(18)16(14(12)19)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKeySQQPXMLHFVYQKD-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.18
Rot. Bonds4

About 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal

2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal (PubChem CID 102257740) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal.

Molecular Properties

Compound Name2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal
PubChem CID102257740
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal
SMILESCCC(C)(C=O)C1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C15H17NO3/c1-3-15(2,10-17)12-9-13(18)16(14(12)19)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3
InChIKeySQQPXMLHFVYQKD-UHFFFAOYSA-N
XLogP2.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal
CID 139259686
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal
CID 139259707
(3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 138974226
2-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylpropanal
CID 71725303
[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434877
[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434876
3-pentan-2-yl-1-phenylpyrrolidine-2,5-dione
CID 122494983
1-phenyl-3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
CID 83142541
ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione
CID 145169692
4-(2,5-dioxo-1-phenylpyrrolidin-3-yl)piperazine-1-carbaldehyde
CID 2877126
ethyl (2S)-2-cyano-2-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-phenylacetate
CID 139260156
3-[3-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylpropylsulfanyl]-1-phenylpyrrolidine-2,5-dione
CID 132966697

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal?
The IUPAC name of 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal (CID 102257740) is 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal.
What is the SMILES notation for 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal?
The canonical SMILES for 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal is CCC(C)(C=O)C1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal?
The InChIKey is SQQPXMLHFVYQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-15(2,10-17)12-9-13(18)16(14(12)19)11-7-5-4-6-8-11/h4-8,10,12H,3,9H2,1-2H3.
What are the key properties of 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal?
2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal has a molecular weight of 259.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal is sourced from PubChem (CID 102257740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).