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

C6H7NO2 — CID 139930643

IUPAC3-prop-1-ynyl-1,3-oxazolidin-2-one
SMILESCC#CN1CCOC1=O
InChIInChI=1S/C6H7NO2/c1-2-3-7-4-5-9-6(7)8/h4-5H2,1H3
InChIKeyVGCVCYHJMPTRBK-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.42
Rot. Bonds

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

3-prop-1-ynyl-1,3-oxazolidin-2-one (PubChem CID 139930643) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 3-prop-1-ynyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-prop-1-ynyl-1,3-oxazolidin-2-one
PubChem CID139930643
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name3-prop-1-ynyl-1,3-oxazolidin-2-one
SMILESCC#CN1CCOC1=O
InChIInChI=1S/C6H7NO2/c1-2-3-7-4-5-9-6(7)8/h4-5H2,1H3
InChIKeyVGCVCYHJMPTRBK-UHFFFAOYSA-N
XLogP0.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.42
H-Bond Donors ≤ 50
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 3-prop-1-ynyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-prop-1-ynyl-1,3-oxazolidin-2-one (CID 139930643) is 3-prop-1-ynyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-prop-1-ynyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-prop-1-ynyl-1,3-oxazolidin-2-one is CC#CN1CCOC1=O.
What is the InChIKey of 3-prop-1-ynyl-1,3-oxazolidin-2-one?
The InChIKey is VGCVCYHJMPTRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-2-3-7-4-5-9-6(7)8/h4-5H2,1H3.
What are the key properties of 3-prop-1-ynyl-1,3-oxazolidin-2-one?
3-prop-1-ynyl-1,3-oxazolidin-2-one has a molecular weight of 125.13 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-ynyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 139930643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).