1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one

C10H17N3O — CID 15065516

IUPAC1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one
SMILESCN(C)CC#CCN1CCN(C)C1=O
InChIInChI=1S/C10H17N3O/c1-11(2)6-4-5-7-13-9-8-12(3)10(13)14/h6-9H2,1-3H3
InChIKeyHXPDXBPKAPUJJJ-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.08
Rot. Bonds2

About 1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one

1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one (PubChem CID 15065516) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one
PubChem CID15065516
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one
SMILESCN(C)CC#CCN1CCN(C)C1=O
InChIInChI=1S/C10H17N3O/c1-11(2)6-4-5-7-13-9-8-12(3)10(13)14/h6-9H2,1-3H3
InChIKeyHXPDXBPKAPUJJJ-UHFFFAOYSA-N
XLogP-0.08
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one (CID 15065516) is 1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one is CN(C)CC#CCN1CCN(C)C1=O.
What is the InChIKey of 1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one?
The InChIKey is HXPDXBPKAPUJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-11(2)6-4-5-7-13-9-8-12(3)10(13)14/h6-9H2,1-3H3.
What are the key properties of 1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one?
1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one has a molecular weight of 195.27 g/mol, XLogP of -0.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)but-2-ynyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 15065516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).