1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione

C11H18N2O2 — CID 28502494

IUPAC1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione
SMILESCN(C)CC(C)(C)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H18N2O2/c1-11(2,7-12(3)4)8-13-9(14)5-6-10(13)15/h5-6H,7-8H2,1-4H3
InChIKeyHOXVMAKEJZQZLV-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.50
Rot. Bonds4

About 1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione

1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione (PubChem CID 28502494) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione
PubChem CID28502494
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione
SMILESCN(C)CC(C)(C)CN1C(=O)C=CC1=O
InChIInChI=1S/C11H18N2O2/c1-11(2,7-12(3)4)8-13-9(14)5-6-10(13)15/h5-6H,7-8H2,1-4H3
InChIKeyHOXVMAKEJZQZLV-UHFFFAOYSA-N
XLogP0.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione (CID 28502494) is 1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione is CN(C)CC(C)(C)CN1C(=O)C=CC1=O.
What is the InChIKey of 1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione?
The InChIKey is HOXVMAKEJZQZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,7-12(3)4)8-13-9(14)5-6-10(13)15/h5-6H,7-8H2,1-4H3.
What are the key properties of 1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione?
1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione has a molecular weight of 210.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-2,2-dimethylpropyl]pyrrole-2,5-dione is sourced from PubChem (CID 28502494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).