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

C8H11NO2 — CID 28502562

IUPAC1-[(2S)-butan-2-yl]pyrrole-2,5-dione
SMILESCC[C@H](C)N1C(=O)C=CC1=O
InChIInChI=1S/C8H11NO2/c1-3-6(2)9-7(10)4-5-8(9)11/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyMWASMIDVYJKRKQ-LURJTMIESA-N
MW153.18 g/mol
LogP0.71
Rot. Bonds2

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

1-[(2S)-butan-2-yl]pyrrole-2,5-dione (PubChem CID 28502562) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]pyrrole-2,5-dione
PubChem CID28502562
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name1-[(2S)-butan-2-yl]pyrrole-2,5-dione
SMILESCC[C@H](C)N1C(=O)C=CC1=O
InChIInChI=1S/C8H11NO2/c1-3-6(2)9-7(10)4-5-8(9)11/h4-6H,3H2,1-2H3/t6-/m0/s1
InChIKeyMWASMIDVYJKRKQ-LURJTMIESA-N
XLogP0.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Ethylmaleimide
CID 4362
N-Methylmaleimide
CID 70261
1H-Pyrrole-2,5-dione, 1-cyclohexyl-
CID 74203
1,4-Bis(maleimido)butane
CID 239576
N-Butylmaleimide
CID 239780
N-Isopropylmaleimide
CID 14088
1-Propyl-1H-pyrrole-2,5-dione
CID 89033
1-[2-(dimethylamino)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 10241184
1-Isobutyl-1h-pyrrole-2,5-dione
CID 244598
1-Hexylpyrrole-2,5-dione
CID 464134
1-pentyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 4168664
N-Ethyl-d5-maleimide
CID 71309877

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[(2S)-butan-2-yl]pyrrole-2,5-dione (CID 28502562) is 1-[(2S)-butan-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(2S)-butan-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(2S)-butan-2-yl]pyrrole-2,5-dione is CC[C@H](C)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[(2S)-butan-2-yl]pyrrole-2,5-dione?
The InChIKey is MWASMIDVYJKRKQ-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-6(2)9-7(10)4-5-8(9)11/h4-6H,3H2,1-2H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]pyrrole-2,5-dione?
1-[(2S)-butan-2-yl]pyrrole-2,5-dione has a molecular weight of 153.18 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 28502562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).