1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one

C13H23N3O — CID 15065533

IUPAC1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one
SMILESCCN(CC)CC#CC(C)N1CCN(C)C1=O
InChIInChI=1S/C13H23N3O/c1-5-15(6-2)9-7-8-12(3)16-11-10-14(4)13(16)17/h12H,5-6,9-11H2,1-4H3
InChIKeyHWYOJKHNYUHWKN-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.09
Rot. Bonds4

About 1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one

1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one (PubChem CID 15065533) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one
PubChem CID15065533
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one
SMILESCCN(CC)CC#CC(C)N1CCN(C)C1=O
InChIInChI=1S/C13H23N3O/c1-5-15(6-2)9-7-8-12(3)16-11-10-14(4)13(16)17/h12H,5-6,9-11H2,1-4H3
InChIKeyHWYOJKHNYUHWKN-UHFFFAOYSA-N
XLogP1.09
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(Dimethylamino)-2-butyn-1-yl]-3-methyl-2-imidazolidinone
CID 15065516
1-Methyl-3-(5-pyrrolidin-1-ylpent-3-yn-2-yl)imidazolidin-2-one
CID 19753304
3-(dimethylamino)-N,N-dimethylpyrrolidine-1-carboxamide
CID 110470361
1,3-Di-tert-butylimidazolidine-2-one
CID 741819
1-Methyl-3-(2-propynyl)-2-imidazolidinone
CID 11355513
1,3-Diisopropylimidazolidin-2-one
CID 22024133
1-Methyl-3-propan-2-ylimidazolidin-2-one
CID 14177967
1-Tert-butyl-3-methylimidazolidin-2-one
CID 14177969
1-Tert-butyl-3-ethylimidazolidin-2-one
CID 89114531
1-Butan-2-yl-3-methylimidazolidin-2-one
CID 101464581
4-(2-Fluoroethynyl)-1,3-dimethylimidazolidin-2-one
CID 89446167
1-tert-Butyl-3-prop-2-ynyl-imidazolidin-2-one
CID 57655915

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one (CID 15065533) is 1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one is CCN(CC)CC#CC(C)N1CCN(C)C1=O.
What is the InChIKey of 1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one?
The InChIKey is HWYOJKHNYUHWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-15(6-2)9-7-8-12(3)16-11-10-14(4)13(16)17/h12H,5-6,9-11H2,1-4H3.
What are the key properties of 1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one?
1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pent-3-yn-2-yl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 15065533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).