4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione

C11H22N2O3 — CID 143206190

IUPAC4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione
SMILESCC(O)CCN(C)C.CN1C(=O)CCC1=O
InChIInChI=1S/C6H15NO.C5H7NO2/c1-6(8)4-5-7(2)3;1-6-4(7)2-3-5(6)8/h6,8H,4-5H2,1-3H3;2-3H2,1H3
InChIKeyVDYGILQKPGTFQT-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.08
Rot. Bonds3

About 4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione

4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione (PubChem CID 143206190) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione
PubChem CID143206190
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione
SMILESCC(O)CCN(C)C.CN1C(=O)CCC1=O
InChIInChI=1S/C6H15NO.C5H7NO2/c1-6(8)4-5-7(2)3;1-6-4(7)2-3-5(6)8/h6,8H,4-5H2,1-3H3;2-3H2,1H3
InChIKeyVDYGILQKPGTFQT-UHFFFAOYSA-N
XLogP0.08
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione?
The IUPAC name of 4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione (CID 143206190) is 4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione is CC(O)CCN(C)C.CN1C(=O)CCC1=O.
What is the InChIKey of 4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione?
The InChIKey is VDYGILQKPGTFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO.C5H7NO2/c1-6(8)4-5-7(2)3;1-6-4(7)2-3-5(6)8/h6,8H,4-5H2,1-3H3;2-3H2,1H3.
What are the key properties of 4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione?
4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione has a molecular weight of 230.31 g/mol, XLogP of 0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)butan-2-ol;1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 143206190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).