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

C6H9NO2 — CID 14840510

IUPAC4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/C1COC(=O)N1
InChIInChI=1S/C6H9NO2/c1-2-3-5-4-9-6(8)7-5/h2-3,5H,4H2,1H3,(H,7,8)/b3-2+
InChIKeyRTDDMMHMIAPRRG-NSCUHMNNSA-N
MW127.14 g/mol
LogP0.67
Rot. Bonds1

About 4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one

4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one (PubChem CID 14840510) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
PubChem CID14840510
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C/C1COC(=O)N1
InChIInChI=1S/C6H9NO2/c1-2-3-5-4-9-6(8)7-5/h2-3,5H,4H2,1H3,(H,7,8)/b3-2+
InChIKeyRTDDMMHMIAPRRG-NSCUHMNNSA-N
XLogP0.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(S)-4-Vinyloxazolidin-2-one
CID 11116019
4-Vinyloxazolidin-2-one
CID 14982204
(4S)-4-(2-Methyl-1-propen-1-yl)-2-oxazolidinone
CID 12167157
(4R,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one
CID 55286559
(4S,5S)-4-ethenyl-5-methyl-1,3-oxazolidin-2-one
CID 130984881
(4S)-4-(3-methylbut-2-enyl)-1,3-oxazolidin-2-one
CID 162410724
tert-butyl N-[(E)-5-amino-1-methoxypent-3-en-2-yl]carbamate
CID 178201497
(4R)-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 640427
(R)-4-Vinyloxazolidin-2-one
CID 14982205
4-Prop-2-enyl-1,3-oxazolidin-2-one
CID 21673737
4-[(E)-3-dimethylphosphorylprop-1-enyl]-1,3-oxazolidin-2-one
CID 23405613
Cyclopentene;1,3-oxazolidin-2-one
CID 69569564

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one (CID 14840510) is 4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one is C/C=C/C1COC(=O)N1.
What is the InChIKey of 4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
The InChIKey is RTDDMMHMIAPRRG-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-3-5-4-9-6(8)7-5/h2-3,5H,4H2,1H3,(H,7,8)/b3-2+.
What are the key properties of 4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one?
4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one has a molecular weight of 127.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-prop-1-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 14840510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).