2-methylidene-1,3-oxazolidine-3-carbaldehyde

C5H7NO2 — CID 88935064

IUPAC2-methylidene-1,3-oxazolidine-3-carbaldehyde
SMILESC=C1OCCN1C=O
InChIInChI=1S/C5H7NO2/c1-5-6(4-7)2-3-8-5/h4H,1-3H2
InChIKeyHBOBSAKDENCQJW-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.05
Rot. Bonds1

About 2-methylidene-1,3-oxazolidine-3-carbaldehyde

2-methylidene-1,3-oxazolidine-3-carbaldehyde (PubChem CID 88935064) has the molecular formula C5H7NO2 and a molecular weight of 113.12 g/mol. Its IUPAC name is 2-methylidene-1,3-oxazolidine-3-carbaldehyde.

Molecular Properties

Compound Name2-methylidene-1,3-oxazolidine-3-carbaldehyde
PubChem CID88935064
Molecular FormulaC5H7NO2
Molecular Weight113.12 g/mol
Exact Mass113.05
IUPAC Name2-methylidene-1,3-oxazolidine-3-carbaldehyde
SMILESC=C1OCCN1C=O
InChIInChI=1S/C5H7NO2/c1-5-6(4-7)2-3-8-5/h4H,1-3H2
InChIKeyHBOBSAKDENCQJW-UHFFFAOYSA-N
XLogP-0.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-vinyl-2-oxazolidinone
CID 77952
3-(1-Fluoroethenyl)-1,3-oxazolidin-2-one
CID 146636667
Lithium 1-(2-oxo-1,3-oxazolidin-3-yl)ethenolate
CID 135076430
1-(2-Methylidene-1,3-oxazolidin-3-yl)ethanone
CID 59171634
1,3-Oxazolidine-3-carbaldehyde
CID 87378580
3-(1-Hydroxyethenyl)-1,3-oxazolidin-2-one
CID 76569202

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1,3-oxazolidine-3-carbaldehyde?
The IUPAC name of 2-methylidene-1,3-oxazolidine-3-carbaldehyde (CID 88935064) is 2-methylidene-1,3-oxazolidine-3-carbaldehyde.
What is the SMILES notation for 2-methylidene-1,3-oxazolidine-3-carbaldehyde?
The canonical SMILES for 2-methylidene-1,3-oxazolidine-3-carbaldehyde is C=C1OCCN1C=O.
What is the InChIKey of 2-methylidene-1,3-oxazolidine-3-carbaldehyde?
The InChIKey is HBOBSAKDENCQJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2/c1-5-6(4-7)2-3-8-5/h4H,1-3H2.
What are the key properties of 2-methylidene-1,3-oxazolidine-3-carbaldehyde?
2-methylidene-1,3-oxazolidine-3-carbaldehyde has a molecular weight of 113.12 g/mol, XLogP of -0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1,3-oxazolidine-3-carbaldehyde is sourced from PubChem (CID 88935064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).