1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione

C9H13NO2 — CID 29012791

IUPAC1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione
SMILESCC(C)[C@@H](C)N1C(=O)C=CC1=O
InChIInChI=1S/C9H13NO2/c1-6(2)7(3)10-8(11)4-5-9(10)12/h4-7H,1-3H3/t7-/m1/s1
InChIKeyINLLIJKETJVZNN-SSDOTTSWSA-N
MW167.21 g/mol
LogP0.96
Rot. Bonds2

About 1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione

1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione (PubChem CID 29012791) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione
PubChem CID29012791
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione
SMILESCC(C)[C@@H](C)N1C(=O)C=CC1=O
InChIInChI=1S/C9H13NO2/c1-6(2)7(3)10-8(11)4-5-9(10)12/h4-7H,1-3H3/t7-/m1/s1
InChIKeyINLLIJKETJVZNN-SSDOTTSWSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Butylmaleimide
CID 239780
N-Isopropylmaleimide
CID 14088
1-Propyl-1H-pyrrole-2,5-dione
CID 89033
1-Isobutyl-1h-pyrrole-2,5-dione
CID 244598
1-(3-methylbutyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2389943
1-(3-Dimethylaminopropyl)-1H-pyrrole-2,5-dione
CID 151256
1H-Pyrrole-2,5-dione, 3-methyl-1-(2-propenyl)-
CID 12119846
1-(Butan-2-yl)-1H-pyrrole-2,5-dione
CID 19388273
N-(3-prenyl)-maleimide
CID 22472409
1-(2-methylbutan-2-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 28502564
1-(4,4,4-Trifluorobutan-2-yl)pyrrole-2,5-dione
CID 105927743
Ethene;1-propylpyrrole-2,5-dione
CID 285261

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione (CID 29012791) is 1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione is CC(C)[C@@H](C)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione?
The InChIKey is INLLIJKETJVZNN-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6(2)7(3)10-8(11)4-5-9(10)12/h4-7H,1-3H3/t7-/m1/s1.
What are the key properties of 1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione?
1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione has a molecular weight of 167.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3-methylbutan-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 29012791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).