5-ethyl-2-imino-1,3-oxazolidin-4-one

C5H8N2O2 — CID 152774400

IUPAC5-ethyl-2-imino-1,3-oxazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(CC)O1
InChIInChI=1S/C5H8N2O2/c1-2-3-4(8)7-5(6)9-3/h3H,2H2,1H3,(H2,6,7,8)
InChIKeyIACQRCBCTXPIEP-UHFFFAOYSA-N
MW128.13 g/mol
LogP-0.15
Rot. Bonds1

About 5-ethyl-2-imino-1,3-oxazolidin-4-one

5-ethyl-2-imino-1,3-oxazolidin-4-one (PubChem CID 152774400) has the molecular formula C5H8N2O2 and a molecular weight of 128.13 g/mol. Its IUPAC name is 5-ethyl-2-imino-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name5-ethyl-2-imino-1,3-oxazolidin-4-one
PubChem CID152774400
Molecular FormulaC5H8N2O2
Molecular Weight128.13 g/mol
Exact Mass128.06
IUPAC Name5-ethyl-2-imino-1,3-oxazolidin-4-one
SMILES[H]/N=C1/NC(=O)C(CC)O1
InChIInChI=1S/C5H8N2O2/c1-2-3-4(8)7-5(6)9-3/h3H,2H2,1H3,(H2,6,7,8)
InChIKeyIACQRCBCTXPIEP-UHFFFAOYSA-N
XLogP-0.15
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-imino-1,3-oxazolidin-4-one?
The IUPAC name of 5-ethyl-2-imino-1,3-oxazolidin-4-one (CID 152774400) is 5-ethyl-2-imino-1,3-oxazolidin-4-one.
What is the SMILES notation for 5-ethyl-2-imino-1,3-oxazolidin-4-one?
The canonical SMILES for 5-ethyl-2-imino-1,3-oxazolidin-4-one is [H]/N=C1/NC(=O)C(CC)O1.
What is the InChIKey of 5-ethyl-2-imino-1,3-oxazolidin-4-one?
The InChIKey is IACQRCBCTXPIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O2/c1-2-3-4(8)7-5(6)9-3/h3H,2H2,1H3,(H2,6,7,8).
What are the key properties of 5-ethyl-2-imino-1,3-oxazolidin-4-one?
5-ethyl-2-imino-1,3-oxazolidin-4-one has a molecular weight of 128.13 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-imino-1,3-oxazolidin-4-one is sourced from PubChem (CID 152774400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).