5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide

C11H17NO2 — CID 114827184

IUPAC5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide
SMILESC#CCC(C)NC(=O)C1COC(C)C1
InChIInChI=1S/C11H17NO2/c1-4-5-8(2)12-11(13)10-6-9(3)14-7-10/h1,8-10H,5-7H2,2-3H3,(H,12,13)
InChIKeyJDKIZPBAORETFQ-UHFFFAOYSA-N
MW195.26 g/mol
LogP0.94
Rot. Bonds3

About 5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide

5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide (PubChem CID 114827184) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide
PubChem CID114827184
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide
SMILESC#CCC(C)NC(=O)C1COC(C)C1
InChIInChI=1S/C11H17NO2/c1-4-5-8(2)12-11(13)10-6-9(3)14-7-10/h1,8-10H,5-7H2,2-3H3,(H,12,13)
InChIKeyJDKIZPBAORETFQ-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 50.94
H-Bond Donors ≤ 51
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 5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide?
The IUPAC name of 5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide (CID 114827184) is 5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide.
What is the SMILES notation for 5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide?
The canonical SMILES for 5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide is C#CCC(C)NC(=O)C1COC(C)C1.
What is the InChIKey of 5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide?
The InChIKey is JDKIZPBAORETFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-5-8(2)12-11(13)10-6-9(3)14-7-10/h1,8-10H,5-7H2,2-3H3,(H,12,13).
What are the key properties of 5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide?
5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-pent-4-yn-2-yloxolane-3-carboxamide is sourced from PubChem (CID 114827184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).