3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one

C7H11NO2 — CID 132539503

IUPAC3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C\CN1CCOC1=O
InChIInChI=1S/C7H11NO2/c1-2-3-4-8-5-6-10-7(8)9/h2-3H,4-6H2,1H3/b3-2-
InChIKeyJXRCVEDIMKKGFO-IHWYPQMZSA-N
MW141.17 g/mol
LogP1.01
Rot. Bonds2

About 3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one

3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one (PubChem CID 132539503) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one
PubChem CID132539503
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one
SMILESC/C=C\CN1CCOC1=O
InChIInChI=1S/C7H11NO2/c1-2-3-4-8-5-6-10-7(8)9/h2-3H,4-6H2,1H3/b3-2-
InChIKeyJXRCVEDIMKKGFO-IHWYPQMZSA-N
XLogP1.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-2-Butenoyl]-1,3-oxazolidin-2-one
CID 5365845
3-(2-Butenoyl)-1,3-oxazolidin-2-one
CID 549611
Vinylmethyloxazolidinone
CID 11446331
2-Oxazolidinone, 3-(1E)-1-propenyl-
CID 11815870
Vinyl-Methyl-Oxazolidinon
CID 13928327
3-But-3-enyl-1,3-oxazolidin-2-one
CID 45087907
Oxyallyl-oxazolidinone
CID 69992313
Ethyl 2,5-dihydro-1h-pyrrole-1-carboxylate
CID 247620
3-Allyl-5-methyl-1,3-oxazolidin-2-one
CID 534901
3-Buta-1,2-dienyl-1,3-oxazolidin-2-one
CID 12173734
2-Oxazolidinone, 5-ethylidene-3-methyl-
CID 85997649
(5Z)-3-ethyl-5-ethylidene-1,3-oxazolidin-2-one
CID 102228197

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one (CID 132539503) is 3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one is C/C=C\CN1CCOC1=O.
What is the InChIKey of 3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one?
The InChIKey is JXRCVEDIMKKGFO-IHWYPQMZSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-4-8-5-6-10-7(8)9/h2-3H,4-6H2,1H3/b3-2-.
What are the key properties of 3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one?
3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one has a molecular weight of 141.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-2-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 132539503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).