5-(dimethylamino)pent-3-yn-2-one

C7H11NO — CID 129178345

IUPAC5-(dimethylamino)pent-3-yn-2-one
SMILESCC(=O)C#CCN(C)C
InChIInChI=1S/C7H11NO/c1-7(9)5-4-6-8(2)3/h6H2,1-3H3
InChIKeyXYRBCCKZQPSTRK-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.14
Rot. Bonds1

About 5-(dimethylamino)pent-3-yn-2-one

5-(dimethylamino)pent-3-yn-2-one (PubChem CID 129178345) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-(dimethylamino)pent-3-yn-2-one.

Molecular Properties

Compound Name5-(dimethylamino)pent-3-yn-2-one
PubChem CID129178345
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-(dimethylamino)pent-3-yn-2-one
SMILESCC(=O)C#CCN(C)C
InChIInChI=1S/C7H11NO/c1-7(9)5-4-6-8(2)3/h6H2,1-3H3
InChIKeyXYRBCCKZQPSTRK-UHFFFAOYSA-N
XLogP0.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)pent-3-yn-2-one?
The IUPAC name of 5-(dimethylamino)pent-3-yn-2-one (CID 129178345) is 5-(dimethylamino)pent-3-yn-2-one.
What is the SMILES notation for 5-(dimethylamino)pent-3-yn-2-one?
The canonical SMILES for 5-(dimethylamino)pent-3-yn-2-one is CC(=O)C#CCN(C)C.
What is the InChIKey of 5-(dimethylamino)pent-3-yn-2-one?
The InChIKey is XYRBCCKZQPSTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-7(9)5-4-6-8(2)3/h6H2,1-3H3.
What are the key properties of 5-(dimethylamino)pent-3-yn-2-one?
5-(dimethylamino)pent-3-yn-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)pent-3-yn-2-one is sourced from PubChem (CID 129178345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).