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

C8H12N2O3 — CID 6441072

IUPAC(4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
SMILESCC(=O)/C=C(\C)N[C@@H]1CONC1=O
InChIInChI=1S/C8H12N2O3/c1-5(3-6(2)11)9-7-4-13-10-8(7)12/h3,7,9H,4H2,1-2H3,(H,10,12)/b5-3+/t7-/m1/s1
InChIKeyDGYLXKOLHICICX-OHCKJTPYSA-N
MW184.19 g/mol
LogP-0.50
Rot. Bonds3

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

(4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one (PubChem CID 6441072) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one.

Molecular Properties

Compound Name(4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
PubChem CID6441072
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
SMILESCC(=O)/C=C(\C)N[C@@H]1CONC1=O
InChIInChI=1S/C8H12N2O3/c1-5(3-6(2)11)9-7-4-13-10-8(7)12/h3,7,9H,4H2,1-2H3,(H,10,12)/b5-3+/t7-/m1/s1
InChIKeyDGYLXKOLHICICX-OHCKJTPYSA-N
XLogP-0.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one with MolForge

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Launch Full Analysis

Related Compounds

4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
CID 6446657
(4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one
CID 162783
4-(4-Oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one
CID 3047829
Pentizidone sodium anhydrous
CID 23684615
(4R)-4-[[(Z)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one
CID 55250256
Sodium 3-oxo-4-[(4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-2-ide--methane (1/1/1)
CID 74088457
sodium (4R)-4-(4-oxopent-2-en-2-ylamino)-1,2-oxazolidin-3-one
CID 139596774
Sodium 3-oxo-4-[(4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-2-ide
CID 154735000
CID 170844533
CID 170844533
D-Alanine-2-d, 3-fluoro-, mixt. with (R)-4-[(1-methyl-3-oxo-1-butenyl)amino]-3-isoxazolidinone monosodium salt
CID 177839456
4-[(4-Methyl-5-oxohept-3-en-3-yl)amino]-1,2-oxazolidin-3-one
CID 68135959
5-Methyl-4-[(3-methyl-4-oxopent-2-en-2-yl)amino]-1,2-oxazolidin-3-one
CID 70637325

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one?
The IUPAC name of (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one (CID 6441072) is (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one.
What is the SMILES notation for (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one?
The canonical SMILES for (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one is CC(=O)/C=C(\C)N[C@@H]1CONC1=O.
What is the InChIKey of (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one?
The InChIKey is DGYLXKOLHICICX-OHCKJTPYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-5(3-6(2)11)9-7-4-13-10-8(7)12/h3,7,9H,4H2,1-2H3,(H,10,12)/b5-3+/t7-/m1/s1.
What are the key properties of (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one?
(4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one has a molecular weight of 184.19 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[[(E)-4-oxopent-2-en-2-yl]amino]-1,2-oxazolidin-3-one is sourced from PubChem (CID 6441072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).