3-prop-2-enoyl-1,3-oxazolidin-2-id-4-one

C6H6NO3- — CID 154418111

IUPAC3-prop-2-enoyl-1,3-oxazolidin-2-id-4-one
SMILESC=CC(=O)N1[CH-]OCC1=O
InChIInChI=1S/C6H6NO3/c1-2-5(8)7-4-10-3-6(7)9/h2,4H,1,3H2/q-1
InChIKeyKBEJLPDEPRDDRN-UHFFFAOYSA-N
MW140.12 g/mol
LogP-0.32
Rot. Bonds1

About 3-prop-2-enoyl-1,3-oxazolidin-2-id-4-one

3-prop-2-enoyl-1,3-oxazolidin-2-id-4-one (PubChem CID 154418111) 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-id-4-one.

Molecular Properties

Compound Name3-prop-2-enoyl-1,3-oxazolidin-2-id-4-one
PubChem CID154418111
Molecular FormulaC6H6NO3-
Molecular Weight140.12 g/mol
Exact Mass140.04
IUPAC Name3-prop-2-enoyl-1,3-oxazolidin-2-id-4-one
SMILESC=CC(=O)N1[CH-]OCC1=O
InChIInChI=1S/C6H6NO3/c1-2-5(8)7-4-10-3-6(7)9/h2,4H,1,3H2/q-1
InChIKeyKBEJLPDEPRDDRN-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
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
CID 134863250
CID 134863250
1-(1,3-Oxazolidin-3-yl)prop-2-en-1-one
CID 10898727
3-Prop-2-enyl-1,3-oxazolidine-2,4-dione
CID 44220452
N-(2-methoxyacetyl)-N-methylprop-2-enamide
CID 57306328
3-Prop-2-enyl-1,3-oxazolidin-4-one
CID 69621688
3-Prop-2-enoyl-1,3-oxazolidin-4-one
CID 70587818
3-Prop-2-enoyl-1,3-oxazolidine-2,4-dione
CID 141007312
3-Prop-2-enyl-1,3-oxazolidin-2-id-4-one
CID 154421048
3-Prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde
CID 174613234

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoyl-1,3-oxazolidin-2-id-4-one?
The IUPAC name of 3-prop-2-enoyl-1,3-oxazolidin-2-id-4-one (CID 154418111) is 3-prop-2-enoyl-1,3-oxazolidin-2-id-4-one.
What is the SMILES notation for 3-prop-2-enoyl-1,3-oxazolidin-2-id-4-one?
The canonical SMILES for 3-prop-2-enoyl-1,3-oxazolidin-2-id-4-one is C=CC(=O)N1[CH-]OCC1=O.
What is the InChIKey of 3-prop-2-enoyl-1,3-oxazolidin-2-id-4-one?
The InChIKey is KBEJLPDEPRDDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6NO3/c1-2-5(8)7-4-10-3-6(7)9/h2,4H,1,3H2/q-1.
What are the key properties of 3-prop-2-enoyl-1,3-oxazolidin-2-id-4-one?
3-prop-2-enoyl-1,3-oxazolidin-2-id-4-one has a molecular weight of 140.12 g/mol, XLogP of -0.32, 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-id-4-one is sourced from PubChem (CID 154418111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).