5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one

C10H16N2O3 — CID 70637325

IUPAC5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one
SMILESCC(=O)C(C)=C(C)NC1C(=O)NOC1C
InChIInChI=1S/C10H16N2O3/c1-5(7(3)13)6(2)11-9-8(4)15-12-10(9)14/h8-9,11H,1-4H3,(H,12,14)
InChIKeyKAAXWHUFNTXYMX-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.28
Rot. Bonds3

About 5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one

5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one (PubChem CID 70637325) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one
PubChem CID70637325
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one
SMILESCC(=O)C(C)=C(C)NC1C(=O)NOC1C
InChIInChI=1S/C10H16N2O3/c1-5(7(3)13)6(2)11-9-8(4)15-12-10(9)14/h8-9,11H,1-4H3,(H,12,14)
InChIKeyKAAXWHUFNTXYMX-UHFFFAOYSA-N
XLogP0.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one?
The IUPAC name of 5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one (CID 70637325) is 5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one.
What is the SMILES notation for 5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one?
The canonical SMILES for 5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one is CC(=O)C(C)=C(C)NC1C(=O)NOC1C.
What is the InChIKey of 5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one?
The InChIKey is KAAXWHUFNTXYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5(7(3)13)6(2)11-9-8(4)15-12-10(9)14/h8-9,11H,1-4H3,(H,12,14).
What are the key properties of 5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one?
5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one has a molecular weight of 212.25 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one is sourced from PubChem (CID 70637325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).