4-prop-1-ynyl-1,3-oxazolidin-2-one

C6H7NO2 — CID 130016019

IUPAC4-prop-1-ynyl-1,3-oxazolidin-2-one
SMILESCC#CC1COC(=O)N1
InChIInChI=1S/C6H7NO2/c1-2-3-5-4-9-6(8)7-5/h5H,4H2,1H3,(H,7,8)
InChIKeyALYAECMSDWJRHE-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.12
Rot. Bonds

About 4-prop-1-ynyl-1,3-oxazolidin-2-one

4-prop-1-ynyl-1,3-oxazolidin-2-one (PubChem CID 130016019) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-prop-1-ynyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-prop-1-ynyl-1,3-oxazolidin-2-one
PubChem CID130016019
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name4-prop-1-ynyl-1,3-oxazolidin-2-one
SMILESCC#CC1COC(=O)N1
InChIInChI=1S/C6H7NO2/c1-2-3-5-4-9-6(8)7-5/h5H,4H2,1H3,(H,7,8)
InChIKeyALYAECMSDWJRHE-UHFFFAOYSA-N
XLogP0.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.12
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 4-prop-1-ynyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-prop-1-ynyl-1,3-oxazolidin-2-one (CID 130016019) is 4-prop-1-ynyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-prop-1-ynyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-prop-1-ynyl-1,3-oxazolidin-2-one is CC#CC1COC(=O)N1.
What is the InChIKey of 4-prop-1-ynyl-1,3-oxazolidin-2-one?
The InChIKey is ALYAECMSDWJRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-2-3-5-4-9-6(8)7-5/h5H,4H2,1H3,(H,7,8).
What are the key properties of 4-prop-1-ynyl-1,3-oxazolidin-2-one?
4-prop-1-ynyl-1,3-oxazolidin-2-one has a molecular weight of 125.13 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-ynyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 130016019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).