3-propa-1,2-dienyl-1,3-oxazolidin-2-one

C6H7NO2 — CID 45087238

IUPAC3-propa-1,2-dienyl-1,3-oxazolidin-2-one
SMILESC=C=CN1CCOC1=O
InChIInChI=1S/C6H7NO2/c1-2-3-7-4-5-9-6(7)8/h3H,1,4-5H2
InChIKeyCZSZJMQGRCDCLT-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.74
Rot. Bonds1

About 3-propa-1,2-dienyl-1,3-oxazolidin-2-one

3-propa-1,2-dienyl-1,3-oxazolidin-2-one (PubChem CID 45087238) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 3-propa-1,2-dienyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-propa-1,2-dienyl-1,3-oxazolidin-2-one
PubChem CID45087238
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name3-propa-1,2-dienyl-1,3-oxazolidin-2-one
SMILESC=C=CN1CCOC1=O
InChIInChI=1S/C6H7NO2/c1-2-3-7-4-5-9-6(7)8/h3H,1,4-5H2
InChIKeyCZSZJMQGRCDCLT-UHFFFAOYSA-N
XLogP0.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-vinyl-2-oxazolidinone
CID 77952
3-(2,2-Difluoroethenyl)-1,3-oxazolidin-2-one
CID 119096794
2-Oxazolidinone, 3-(1E)-1-propenyl-
CID 11815870
3-(1-Fluoroethenyl)-1,3-oxazolidin-2-one
CID 146636667
2-Oxazolidinone, 3-(1E)-1,3-butadienyl-
CID 10887987
3-(2-Methylprop-1-enyl)-1,3-oxazolidin-2-one
CID 11194390
3-Buta-1,2-dienyl-1,3-oxazolidin-2-one
CID 12173734
3-(3-Methylbuta-1,2-dienyl)-1,3-oxazolidin-2-one
CID 86054626
3-Propa-1,2-dienyl-1,3-oxazolidin-4-id-2-one;tungsten
CID 135012900
Lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate
CID 135076430
3-[(E)-3-fluoroprop-1-enyl]-1,3-oxazolidin-2-one
CID 142959700
(E)-3-(2-oxo-1,3-oxazolidin-3-yl)prop-2-enenitrile
CID 49837120

Frequently Asked Questions

What is the IUPAC name of 3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-propa-1,2-dienyl-1,3-oxazolidin-2-one (CID 45087238) is 3-propa-1,2-dienyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-propa-1,2-dienyl-1,3-oxazolidin-2-one is C=C=CN1CCOC1=O.
What is the InChIKey of 3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
The InChIKey is CZSZJMQGRCDCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-2-3-7-4-5-9-6(7)8/h3H,1,4-5H2.
What are the key properties of 3-propa-1,2-dienyl-1,3-oxazolidin-2-one?
3-propa-1,2-dienyl-1,3-oxazolidin-2-one has a molecular weight of 125.13 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propa-1,2-dienyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 45087238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).