3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one

C6H9NO2 — CID 11815870

IUPAC3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/N1CCOC1=O
InChIInChI=1S/C6H9NO2/c1-2-3-7-4-5-9-6(7)8/h2-3H,4-5H2,1H3/b3-2+
InChIKeyMMSVQRBGFBVWCX-NSCUHMNNSA-N
MW127.14 g/mol
LogP0.97
Rot. Bonds1

About 3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one

3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 11815870) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
PubChem CID11815870
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/N1CCOC1=O
InChIInChI=1S/C6H9NO2/c1-2-3-7-4-5-9-6(7)8/h2-3H,4-5H2,1H3/b3-2+
InChIKeyMMSVQRBGFBVWCX-NSCUHMNNSA-N
XLogP0.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one (CID 11815870) is 3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one is C/C=C/N1CCOC1=O.
What is the InChIKey of 3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is MMSVQRBGFBVWCX-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-3-7-4-5-9-6(7)8/h2-3H,4-5H2,1H3/b3-2+.
What are the key properties of 3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 127.14 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11815870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).