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

C6H6NO3+ — CID 134863250

IUPAC3-prop-2-enoyl-1,3-oxazolidin-2-one
SMILES[H]/[C+]=C/C(=O)N1CCOC1=O
InChIInChI=1S/C6H6NO3/c1-2-5(8)7-3-4-10-6(7)9/h1-2H,3-4H2/q+1
InChIKeyKBUJBQKMYSDPFK-UHFFFAOYSA-N
MW140.12 g/mol
LogP-0.05
Rot. Bonds1

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

3-prop-2-enoyl-1,3-oxazolidin-2-one (PubChem CID 134863250) has the molecular formula C6H6NO3+ and a molecular weight of 140.12 g/mol. Its IUPAC name is 3-prop-2-enoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-prop-2-enoyl-1,3-oxazolidin-2-one
PubChem CID134863250
Molecular FormulaC6H6NO3+
Molecular Weight140.12 g/mol
Exact Mass140.03
IUPAC Name3-prop-2-enoyl-1,3-oxazolidin-2-one
SMILES[H]/[C+]=C/C(=O)N1CCOC1=O
InChIInChI=1S/C6H6NO3/c1-2-5(8)7-3-4-10-6(7)9/h1-2H,3-4H2/q+1
InChIKeyKBUJBQKMYSDPFK-UHFFFAOYSA-N
XLogP-0.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Acryloyl-2-oxazolidinone
CID 10351788
3-[(E)-2-Butenoyl]-1,3-oxazolidin-2-one
CID 5365845
3-(4,4,4-Trifluoro-2-butenoyl)-2-oxazolidinone
CID 45140680
3-(2-Butenoyl)-1,3-oxazolidin-2-one
CID 549611
Vinylmethyloxazolidinone
CID 11446331
3-(4-Fluorobut-2-enoyl)-1,3-oxazolidin-2-one
CID 141333748
3-[(E)-3-chloroprop-2-enoyl]-1,3-oxazolidin-2-one
CID 10931953
[(E)-3-oxo-3-(2-oxo-1,3-oxazolidin-3-yl)prop-1-enyl] acetate
CID 72723663
CID 134857775
CID 134857775
3-[(Z)-3-methoxyprop-2-enoyl]-1,3-oxazolidin-2-one
CID 176427979
3-(4,4,4-Trifluorobut-2-enoyl)-1,3-oxazolidin-2-one
CID 75097194
Oxazolidin-2-one, N-[(Z)-butenoyl]-
CID 5365988

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-prop-2-enoyl-1,3-oxazolidin-2-one (CID 134863250) is 3-prop-2-enoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-prop-2-enoyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-prop-2-enoyl-1,3-oxazolidin-2-one is [H]/[C+]=C/C(=O)N1CCOC1=O.
What is the InChIKey of 3-prop-2-enoyl-1,3-oxazolidin-2-one?
The InChIKey is KBUJBQKMYSDPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO3/c1-2-5(8)7-3-4-10-6(7)9/h1-2H,3-4H2/q+1.
What are the key properties of 3-prop-2-enoyl-1,3-oxazolidin-2-one?
3-prop-2-enoyl-1,3-oxazolidin-2-one has a molecular weight of 140.12 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134863250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).