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

C11H17NO2 — CID 115686783

IUPAC2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide
SMILESC#CCC(C)NC(=O)C1(C)CCCO1
InChIInChI=1S/C11H17NO2/c1-4-6-9(2)12-10(13)11(3)7-5-8-14-11/h1,9H,5-8H2,2-3H3,(H,12,13)
InChIKeyRXQCEAJXQMIWCK-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.08
Rot. Bonds3

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

2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide (PubChem CID 115686783) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide
PubChem CID115686783
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide
SMILESC#CCC(C)NC(=O)C1(C)CCCO1
InChIInChI=1S/C11H17NO2/c1-4-6-9(2)12-10(13)11(3)7-5-8-14-11/h1,9H,5-8H2,2-3H3,(H,12,13)
InChIKeyRXQCEAJXQMIWCK-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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 2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide?
The IUPAC name of 2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide (CID 115686783) is 2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide is C#CCC(C)NC(=O)C1(C)CCCO1.
What is the InChIKey of 2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide?
The InChIKey is RXQCEAJXQMIWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-6-9(2)12-10(13)11(3)7-5-8-14-11/h1,9H,5-8H2,2-3H3,(H,12,13).
What are the key properties of 2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide?
2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-pent-4-yn-2-yloxolane-2-carboxamide is sourced from PubChem (CID 115686783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).