1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one

C9H15N3O — CID 15065515

IUPAC1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one
SMILESCN(C)CC#CCN1CCNC1=O
InChIInChI=1S/C9H15N3O/c1-11(2)6-3-4-7-12-8-5-10-9(12)13/h5-8H2,1-2H3,(H,10,13)
InChIKeyZIQJEFUPGSFPIY-UHFFFAOYSA-N
MW181.24 g/mol
LogP-0.42
Rot. Bonds2

About 1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one

1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one (PubChem CID 15065515) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one
PubChem CID15065515
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one
SMILESCN(C)CC#CCN1CCNC1=O
InChIInChI=1S/C9H15N3O/c1-11(2)6-3-4-7-12-8-5-10-9(12)13/h5-8H2,1-2H3,(H,10,13)
InChIKeyZIQJEFUPGSFPIY-UHFFFAOYSA-N
XLogP-0.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-Aminoethyl)ethyleneurea
CID 80480
1-[4-(Dimethylamino)-2-butyn-1-yl]-3-methyl-2-imidazolidinone
CID 15065516
1-(4-Pyrrolidin-1-yl-but-2-ynyl)-imidazolidin-2-one
CID 15669677
1-Methylimidazolidin-2-one
CID 567600
1-(Prop-2-yn-1-yl)imidazolidin-2-one
CID 15669657
1-(Propan-2-yl)imidazolidin-2-one
CID 21719015
1,3-Dimethyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-urea
CID 15669683
1-Ethylimidazolidin-2-one
CID 11378469
1-Tert-butylimidazolidin-2-one
CID 2795231
1-[3-(Dimethylamino)propyl]imidazolidin-2-one
CID 17776604
1,4,7,10-Tetraazabicyclo[8.2.1]tridecan-13-one
CID 11008909
1-Butylimidazolidin-2-one
CID 21749799

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one?
The IUPAC name of 1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one (CID 15065515) is 1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one is CN(C)CC#CCN1CCNC1=O.
What is the InChIKey of 1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one?
The InChIKey is ZIQJEFUPGSFPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-11(2)6-3-4-7-12-8-5-10-9(12)13/h5-8H2,1-2H3,(H,10,13).
What are the key properties of 1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one?
1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one has a molecular weight of 181.24 g/mol, XLogP of -0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)but-2-ynyl]imidazolidin-2-one is sourced from PubChem (CID 15065515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).