2-methyl-N-prop-2-ynyloxolane-3-carboxamide

C9H13NO2 — CID 79762562

IUPAC2-methyl-N-prop-2-ynyloxolane-3-carboxamide
SMILESC#CCNC(=O)C1CCOC1C
InChIInChI=1S/C9H13NO2/c1-3-5-10-9(11)8-4-6-12-7(8)2/h1,7-8H,4-6H2,2H3,(H,10,11)
InChIKeyYJSGEHPEZQZQSA-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.16
Rot. Bonds2

About 2-methyl-N-prop-2-ynyloxolane-3-carboxamide

2-methyl-N-prop-2-ynyloxolane-3-carboxamide (PubChem CID 79762562) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methyl-N-prop-2-ynyloxolane-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-prop-2-ynyloxolane-3-carboxamide
PubChem CID79762562
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-methyl-N-prop-2-ynyloxolane-3-carboxamide
SMILESC#CCNC(=O)C1CCOC1C
InChIInChI=1S/C9H13NO2/c1-3-5-10-9(11)8-4-6-12-7(8)2/h1,7-8H,4-6H2,2H3,(H,10,11)
InChIKeyYJSGEHPEZQZQSA-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.16
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-prop-2-ynyloxolane-3-carboxamide?
The IUPAC name of 2-methyl-N-prop-2-ynyloxolane-3-carboxamide (CID 79762562) is 2-methyl-N-prop-2-ynyloxolane-3-carboxamide.
What is the SMILES notation for 2-methyl-N-prop-2-ynyloxolane-3-carboxamide?
The canonical SMILES for 2-methyl-N-prop-2-ynyloxolane-3-carboxamide is C#CCNC(=O)C1CCOC1C.
What is the InChIKey of 2-methyl-N-prop-2-ynyloxolane-3-carboxamide?
The InChIKey is YJSGEHPEZQZQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-5-10-9(11)8-4-6-12-7(8)2/h1,7-8H,4-6H2,2H3,(H,10,11).
What are the key properties of 2-methyl-N-prop-2-ynyloxolane-3-carboxamide?
2-methyl-N-prop-2-ynyloxolane-3-carboxamide has a molecular weight of 167.21 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-prop-2-ynyloxolane-3-carboxamide is sourced from PubChem (CID 79762562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).