1-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione

C9H16N2O2 — CID 22954461

IUPAC1-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(CN(C)C)C(=O)C1C
InChIInChI=1S/C9H16N2O2/c1-6-7(2)9(13)11(8(6)12)5-10(3)4/h6-7H,5H2,1-4H3
InChIKeyBPDYMQKFEBUYEY-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.15
Rot. Bonds2

About 1-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione

1-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione (PubChem CID 22954461) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione
PubChem CID22954461
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione
SMILESCC1C(=O)N(CN(C)C)C(=O)C1C
InChIInChI=1S/C9H16N2O2/c1-6-7(2)9(13)11(8(6)12)5-10(3)4/h6-7H,5H2,1-4H3
InChIKeyBPDYMQKFEBUYEY-UHFFFAOYSA-N
XLogP0.15
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.15
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-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione (CID 22954461) is 1-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione is CC1C(=O)N(CN(C)C)C(=O)C1C.
What is the InChIKey of 1-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
The InChIKey is BPDYMQKFEBUYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-6-7(2)9(13)11(8(6)12)5-10(3)4/h6-7H,5H2,1-4H3.
What are the key properties of 1-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione?
1-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione has a molecular weight of 184.24 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dimethylamino)methyl]-3,4-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 22954461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).