1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione

C14H19NO3 — CID 66881922

IUPAC1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione
SMILESCCCCC(=O)[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C14H19NO3/c1-2-3-7-12(16)10-5-4-6-11(10)15-13(17)8-9-14(15)18/h8-11H,2-7H2,1H3/t10-,11-/m0/s1
InChIKeyAIFXKICTEMFJBS-QWRGUYRKSA-N
MW249.31 g/mol
LogP1.84
Rot. Bonds5

About 1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione

1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione (PubChem CID 66881922) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione
PubChem CID66881922
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione
SMILESCCCCC(=O)[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O
InChIInChI=1S/C14H19NO3/c1-2-3-7-12(16)10-5-4-6-11(10)15-13(17)8-9-14(15)18/h8-11H,2-7H2,1H3/t10-,11-/m0/s1
InChIKeyAIFXKICTEMFJBS-QWRGUYRKSA-N
XLogP1.84
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

propyl 2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate
CID 23033268
trans-benzyl (1S,2S)-2-(2,5-dioxopyrrol-1-yl)cyclopentane-1-carboxylate
CID 66881534
1-(2-methylcyclopentyl)hexan-1-one
CID 107186773
1-[(1S,2S,3S)-2,3-dibutoxycyclopentyl]pyrrole-2,5-dione
CID 18439127
1-(2-methylcyclopentyl)heptan-1-one
CID 107186756
1-(2-methylcyclopentyl)decan-1-one
CID 107186745
1-(2-aminocyclopentyl)heptan-1-one
CID 116580217
1-(2-aminocyclopentyl)octan-1-one
CID 116580099
1-cyclobutyldodecan-1-one
CID 115811550
1-cycloheptylpentan-1-one
CID 65399298
1-(4-methylcyclohexyl)pentan-1-one
CID 62621945
1-(2-methoxycyclopentyl)pyrrole-2,5-dione
CID 18439075

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione (CID 66881922) is 1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione is CCCCC(=O)[C@H]1CCC[C@@H]1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione?
The InChIKey is AIFXKICTEMFJBS-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-3-7-12(16)10-5-4-6-11(10)15-13(17)8-9-14(15)18/h8-11H,2-7H2,1H3/t10-,11-/m0/s1.
What are the key properties of 1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione?
1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione has a molecular weight of 249.31 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2S)-2-pentanoylcyclopentyl]pyrrole-2,5-dione is sourced from PubChem (CID 66881922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).