1-(2,2-dimethylpropyl)pyrrole-2,5-dione

C9H13NO2 — CID 12858663

IUPAC1-(2,2-dimethylpropyl)pyrrole-2,5-dione
SMILESCC(C)(C)CN1C(=O)C=CC1=O
InChIInChI=1S/C9H13NO2/c1-9(2,3)6-10-7(11)4-5-8(10)12/h4-5H,6H2,1-3H3
InChIKeyUAOVMLLCUXSGNG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.96
Rot. Bonds1

About 1-(2,2-dimethylpropyl)pyrrole-2,5-dione

1-(2,2-dimethylpropyl)pyrrole-2,5-dione (PubChem CID 12858663) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)pyrrole-2,5-dione
PubChem CID12858663
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(2,2-dimethylpropyl)pyrrole-2,5-dione
SMILESCC(C)(C)CN1C(=O)C=CC1=O
InChIInChI=1S/C9H13NO2/c1-9(2,3)6-10-7(11)4-5-8(10)12/h4-5H,6H2,1-3H3
InChIKeyUAOVMLLCUXSGNG-UHFFFAOYSA-N
XLogP0.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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'}

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Related Compounds

N-Ethylmaleimide
CID 4362
N-Methylmaleimide
CID 70261
1,4-Bis(maleimido)butane
CID 239576
N-Isopropylmaleimide
CID 14088
Maleimide, N-ethyl-2-methyl-
CID 35753
1-Propyl-1H-pyrrole-2,5-dione
CID 89033
N-Butylmaleimide
CID 239780
1-[2-(dimethylamino)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 10241184
1-Hexylpyrrole-2,5-dione
CID 464134
1-Isobutyl-1h-pyrrole-2,5-dione
CID 244598
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-(2,2-dimethylpropyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2,2-dimethylpropyl)pyrrole-2,5-dione (CID 12858663) is 1-(2,2-dimethylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2,2-dimethylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2,2-dimethylpropyl)pyrrole-2,5-dione is CC(C)(C)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-(2,2-dimethylpropyl)pyrrole-2,5-dione?
The InChIKey is UAOVMLLCUXSGNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-9(2,3)6-10-7(11)4-5-8(10)12/h4-5H,6H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)pyrrole-2,5-dione?
1-(2,2-dimethylpropyl)pyrrole-2,5-dione has a molecular weight of 167.21 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 12858663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).