2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal

C21H29NO3 — CID 139259707

IUPAC2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal
SMILESCCCCCCCCC(C)(C=O)[C@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C21H29NO3/c1-3-4-5-6-7-11-14-21(2,16-23)18-15-19(24)22(20(18)25)17-12-9-8-10-13-17/h8-10,12-13,16,18H,3-7,11,14-15H2,1-2H3/t18-,21?/m0/s1
InChIKeyOMHNSZUVXAPCKR-YMXDCFFPSA-N
MW343.47 g/mol
LogP4.52
Rot. Bonds10

About 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal

2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal (PubChem CID 139259707) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal.

Molecular Properties

Compound Name2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal
PubChem CID139259707
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal
SMILESCCCCCCCCC(C)(C=O)[C@H]1CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C21H29NO3/c1-3-4-5-6-7-11-14-21(2,16-23)18-15-19(24)22(20(18)25)17-12-9-8-10-13-17/h8-10,12-13,16,18H,3-7,11,14-15H2,1-2H3/t18-,21?/m0/s1
InChIKeyOMHNSZUVXAPCKR-YMXDCFFPSA-N
XLogP4.52
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(2,5-dioxo-1-phenylpyrrolidin-3-yl)-2-methylbutanal
CID 102257740
(3R)-1-phenyl-3-(trifluoromethyl)pyrrolidine-2,5-dione
CID 138974226
2-[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-2-ethyldecanal
CID 139259704
2-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]-2-methylpropanal
CID 71725303
N-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-N-oxidohexanamide
CID 2025093
3-[3-(2,5-dioxo-1-phenylpyrrolidin-3-yl)sulfanylpropylsulfanyl]-1-phenylpyrrolidine-2,5-dione
CID 132966697
3-pentan-2-yl-1-phenylpyrrolidine-2,5-dione
CID 122494983
(3S)-1-(4-tert-butylphenyl)-3-[(E)-dodec-2-enyl]pyrrolidine-2,5-dione
CID 98105838
2-methyl-2-phenylicosanal
CID 174730762
[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434876
[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-diethylazanium
CID 7434877

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal?
The IUPAC name of 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal (CID 139259707) is 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal.
What is the SMILES notation for 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal?
The canonical SMILES for 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal is CCCCCCCCC(C)(C=O)[C@H]1CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal?
The InChIKey is OMHNSZUVXAPCKR-YMXDCFFPSA-N. The full InChI is InChI=1S/C21H29NO3/c1-3-4-5-6-7-11-14-21(2,16-23)18-15-19(24)22(20(18)25)17-12-9-8-10-13-17/h8-10,12-13,16,18H,3-7,11,14-15H2,1-2H3/t18-,21?/m0/s1.
What are the key properties of 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal?
2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal has a molecular weight of 343.47 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2,5-dioxo-1-phenylpyrrolidin-3-yl]-2-methyldecanal is sourced from PubChem (CID 139259707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).