N-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide

C11H15N3O — CID 15065559

IUPACN-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)C(C)C#CCn1ccnc1
InChIInChI=1S/C11H15N3O/c1-10(13(3)11(2)15)5-4-7-14-8-6-12-9-14/h6,8-10H,7H2,1-3H3
InChIKeyVTRQYPIGESJYIB-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.75
Rot. Bonds2

About N-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide

N-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide (PubChem CID 15065559) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide
PubChem CID15065559
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide
SMILESCC(=O)N(C)C(C)C#CCn1ccnc1
InChIInChI=1S/C11H15N3O/c1-10(13(3)11(2)15)5-4-7-14-8-6-12-9-14/h6,8-10H,7H2,1-3H3
InChIKeyVTRQYPIGESJYIB-UHFFFAOYSA-N
XLogP0.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide?
The IUPAC name of N-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide (CID 15065559) is N-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide.
What is the SMILES notation for N-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide?
The canonical SMILES for N-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide is CC(=O)N(C)C(C)C#CCn1ccnc1.
What is the InChIKey of N-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide?
The InChIKey is VTRQYPIGESJYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-10(13(3)11(2)15)5-4-7-14-8-6-12-9-14/h6,8-10H,7H2,1-3H3.
What are the key properties of N-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide?
N-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide has a molecular weight of 205.26 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-imidazol-1-ylpent-3-yn-2-yl)-N-methylacetamide is sourced from PubChem (CID 15065559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).