3-prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde

C7H9NO3 — CID 174613234

IUPAC3-prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde
SMILESC=CC(=O)N1CCOC1C=O
InChIInChI=1S/C7H9NO3/c1-2-6(10)8-3-4-11-7(8)5-9/h2,5,7H,1,3-4H2
InChIKeyTVODFUSJLXSWKT-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.44
Rot. Bonds2

About 3-prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde

3-prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174613234) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 3-prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name3-prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde
PubChem CID174613234
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name3-prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde
SMILESC=CC(=O)N1CCOC1C=O
InChIInChI=1S/C7H9NO3/c1-2-6(10)8-3-4-11-7(8)5-9/h2,5,7H,1,3-4H2
InChIKeyTVODFUSJLXSWKT-UHFFFAOYSA-N
XLogP-0.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 3-prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde (CID 174613234) is 3-prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 3-prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 3-prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde is C=CC(=O)N1CCOC1C=O.
What is the InChIKey of 3-prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is TVODFUSJLXSWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-6(10)8-3-4-11-7(8)5-9/h2,5,7H,1,3-4H2.
What are the key properties of 3-prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde?
3-prop-2-enoyl-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 155.15 g/mol, XLogP of -0.44, 2 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-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174613234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).