3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride

C10H19Cl2N3O — CID 18960493

IUPAC3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride
SMILESCN(C)CC#CCN1CCC(N)C1=O.Cl.Cl
InChIInChI=1S/C10H17N3O.2ClH/c1-12(2)6-3-4-7-13-8-5-9(11)10(13)14;;/h9H,5-8,11H2,1-2H3;2*1H
InChIKeyLRNGKFRZFARRHR-UHFFFAOYSA-N
MW268.19 g/mol
LogP-0.05
Rot. Bonds2

About 3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride

3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride (PubChem CID 18960493) has the molecular formula C10H19Cl2N3O and a molecular weight of 268.19 g/mol. Its IUPAC name is 3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride.

Molecular Properties

Compound Name3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride
PubChem CID18960493
Molecular FormulaC10H19Cl2N3O
Molecular Weight268.19 g/mol
Exact Mass267.09
IUPAC Name3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride
SMILESCN(C)CC#CCN1CCC(N)C1=O.Cl.Cl
InChIInChI=1S/C10H17N3O.2ClH/c1-12(2)6-3-4-7-13-8-5-9(11)10(13)14;;/h9H,5-8,11H2,1-2H3;2*1H
InChIKeyLRNGKFRZFARRHR-UHFFFAOYSA-N
XLogP-0.05
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride 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 3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride?
The IUPAC name of 3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride (CID 18960493) is 3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride.
What is the SMILES notation for 3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride?
The canonical SMILES for 3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride is CN(C)CC#CCN1CCC(N)C1=O.Cl.Cl.
What is the InChIKey of 3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride?
The InChIKey is LRNGKFRZFARRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O.2ClH/c1-12(2)6-3-4-7-13-8-5-9(11)10(13)14;;/h9H,5-8,11H2,1-2H3;2*1H.
What are the key properties of 3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride?
3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride has a molecular weight of 268.19 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-(dimethylamino)but-2-ynyl]pyrrolidin-2-one;dihydrochloride is sourced from PubChem (CID 18960493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).