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

C12H21N3O — CID 15065531

IUPAC1-[4-(diethylamino)but-2-ynyl]-3-methylimidazolidin-2-one
SMILESCCN(CC)CC#CCN1CCN(C)C1=O
InChIInChI=1S/C12H21N3O/c1-4-14(5-2)8-6-7-9-15-11-10-13(3)12(15)16/h4-5,8-11H2,1-3H3
InChIKeyNUOONRLFNNJHND-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.70
Rot. Bonds4

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

1-[4-(diethylamino)but-2-ynyl]-3-methylimidazolidin-2-one (PubChem CID 15065531) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[4-(diethylamino)but-2-ynyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[4-(diethylamino)but-2-ynyl]-3-methylimidazolidin-2-one
PubChem CID15065531
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[4-(diethylamino)but-2-ynyl]-3-methylimidazolidin-2-one
SMILESCCN(CC)CC#CCN1CCN(C)C1=O
InChIInChI=1S/C12H21N3O/c1-4-14(5-2)8-6-7-9-15-11-10-13(3)12(15)16/h4-5,8-11H2,1-3H3
InChIKeyNUOONRLFNNJHND-UHFFFAOYSA-N
XLogP0.70
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.70
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-(diethylamino)but-2-ynyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[4-(diethylamino)but-2-ynyl]-3-methylimidazolidin-2-one (CID 15065531) is 1-[4-(diethylamino)but-2-ynyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[4-(diethylamino)but-2-ynyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[4-(diethylamino)but-2-ynyl]-3-methylimidazolidin-2-one is CCN(CC)CC#CCN1CCN(C)C1=O.
What is the InChIKey of 1-[4-(diethylamino)but-2-ynyl]-3-methylimidazolidin-2-one?
The InChIKey is NUOONRLFNNJHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-14(5-2)8-6-7-9-15-11-10-13(3)12(15)16/h4-5,8-11H2,1-3H3.
What are the key properties of 1-[4-(diethylamino)but-2-ynyl]-3-methylimidazolidin-2-one?
1-[4-(diethylamino)but-2-ynyl]-3-methylimidazolidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)but-2-ynyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 15065531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).