2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one

C8H16N2O2 — CID 142400236

IUPAC2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one
SMILESCCNCCN1OCC(C)C1=O
InChIInChI=1S/C8H16N2O2/c1-3-9-4-5-10-8(11)7(2)6-12-10/h7,9H,3-6H2,1-2H3
InChIKeyPWERIZMTXPIWPP-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.01
Rot. Bonds4

About 2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one

2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one (PubChem CID 142400236) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one
PubChem CID142400236
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one
SMILESCCNCCN1OCC(C)C1=O
InChIInChI=1S/C8H16N2O2/c1-3-9-4-5-10-8(11)7(2)6-12-10/h7,9H,3-6H2,1-2H3
InChIKeyPWERIZMTXPIWPP-UHFFFAOYSA-N
XLogP0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one?
The IUPAC name of 2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one (CID 142400236) is 2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one.
What is the SMILES notation for 2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one?
The canonical SMILES for 2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one is CCNCCN1OCC(C)C1=O.
What is the InChIKey of 2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one?
The InChIKey is PWERIZMTXPIWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-9-4-5-10-8(11)7(2)6-12-10/h7,9H,3-6H2,1-2H3.
What are the key properties of 2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one?
2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one has a molecular weight of 172.23 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)ethyl]-4-methyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 142400236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).