1-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one

C11H17N3O — CID 19753275

IUPAC1-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one
SMILESCC(C#CCN(C)C)n1ccn(C)c1=O
InChIInChI=1S/C11H17N3O/c1-10(6-5-7-12(2)3)14-9-8-13(4)11(14)15/h8-10H,7H2,1-4H3
InChIKeyRBHLTHDMSPUWKK-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.31
Rot. Bonds2

About 1-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one

1-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one (PubChem CID 19753275) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one
PubChem CID19753275
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one
SMILESCC(C#CCN(C)C)n1ccn(C)c1=O
InChIInChI=1S/C11H17N3O/c1-10(6-5-7-12(2)3)14-9-8-13(4)11(14)15/h8-10H,7H2,1-4H3
InChIKeyRBHLTHDMSPUWKK-UHFFFAOYSA-N
XLogP0.31
TPSA30.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one?
The IUPAC name of 1-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one (CID 19753275) is 1-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one is CC(C#CCN(C)C)n1ccn(C)c1=O.
What is the InChIKey of 1-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one?
The InChIKey is RBHLTHDMSPUWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-10(6-5-7-12(2)3)14-9-8-13(4)11(14)15/h8-10H,7H2,1-4H3.
What are the key properties of 1-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one?
1-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one has a molecular weight of 207.28 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)pent-3-yn-2-yl]-3-methylimidazol-2-one is sourced from PubChem (CID 19753275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).