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

C9H14N2O3 — CID 21429042

IUPAC4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
SMILESCC(=O)/C(C)=C(\C)NC1CONC1=O
InChIInChI=1S/C9H14N2O3/c1-5(7(3)12)6(2)10-8-4-14-11-9(8)13/h8,10H,4H2,1-3H3,(H,11,13)/b6-5+
InChIKeyMAZUPIUWLBPNPK-AATRIKPKSA-N
MW198.22 g/mol
LogP-0.11
Rot. Bonds3

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

4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one (PubChem CID 21429042) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
PubChem CID21429042
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
SMILESCC(=O)/C(C)=C(\C)NC1CONC1=O
InChIInChI=1S/C9H14N2O3/c1-5(7(3)12)6(2)10-8-4-14-11-9(8)13/h8,10H,4H2,1-3H3,(H,11,13)/b6-5+
InChIKeyMAZUPIUWLBPNPK-AATRIKPKSA-N
XLogP-0.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.11
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 4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one?
The IUPAC name of 4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one (CID 21429042) is 4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one.
What is the SMILES notation for 4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one?
The canonical SMILES for 4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one is CC(=O)/C(C)=C(\C)NC1CONC1=O.
What is the InChIKey of 4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one?
The InChIKey is MAZUPIUWLBPNPK-AATRIKPKSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-5(7(3)12)6(2)10-8-4-14-11-9(8)13/h8,10H,4H2,1-3H3,(H,11,13)/b6-5+.
What are the key properties of 4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one?
4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one has a molecular weight of 198.22 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-methyl-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one is sourced from PubChem (CID 21429042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).