3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal

C9H13NO3 — CID 105440499

IUPAC3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal
SMILESO=CCCN1OC(C2CC2)CC1=O
InChIInChI=1S/C9H13NO3/c11-5-1-4-10-9(12)6-8(13-10)7-2-3-7/h5,7-8H,1-4,6H2
InChIKeyWWPBUCYYEMDIQD-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.52
Rot. Bonds4

About 3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal

3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal (PubChem CID 105440499) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal.

Molecular Properties

Compound Name3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal
PubChem CID105440499
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal
SMILESO=CCCN1OC(C2CC2)CC1=O
InChIInChI=1S/C9H13NO3/c11-5-1-4-10-9(12)6-8(13-10)7-2-3-7/h5,7-8H,1-4,6H2
InChIKeyWWPBUCYYEMDIQD-UHFFFAOYSA-N
XLogP0.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal?
The IUPAC name of 3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal (CID 105440499) is 3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal.
What is the SMILES notation for 3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal?
The canonical SMILES for 3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal is O=CCCN1OC(C2CC2)CC1=O.
What is the InChIKey of 3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal?
The InChIKey is WWPBUCYYEMDIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-5-1-4-10-9(12)6-8(13-10)7-2-3-7/h5,7-8H,1-4,6H2.
What are the key properties of 3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal?
3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal has a molecular weight of 183.21 g/mol, XLogP of 0.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-3-oxo-1,2-oxazolidin-2-yl)propanal is sourced from PubChem (CID 105440499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).