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

C10H15NO3 — CID 170905240

IUPAC(4R)-4-[(E)-2-methyl-3-oxohex-4-en-2-yl]-1,3-oxazolidin-2-one
SMILESC/C=C/C(=O)C(C)(C)[C@@H]1COC(=O)N1
InChIInChI=1S/C10H15NO3/c1-4-5-8(12)10(2,3)7-6-14-9(13)11-7/h4-5,7H,6H2,1-3H3,(H,11,13)/b5-4+/t7-/m0/s1
InChIKeyZXZMNYQHSYLENP-KPJROHGDSA-N
MW197.23 g/mol
LogP1.27
Rot. Bonds3

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

(4R)-4-[(E)-2-methyl-3-oxohex-4-en-2-yl]-1,3-oxazolidin-2-one (PubChem CID 170905240) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (4R)-4-[(E)-2-methyl-3-oxohex-4-en-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(E)-2-methyl-3-oxohex-4-en-2-yl]-1,3-oxazolidin-2-one
PubChem CID170905240
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(4R)-4-[(E)-2-methyl-3-oxohex-4-en-2-yl]-1,3-oxazolidin-2-one
SMILESC/C=C/C(=O)C(C)(C)[C@@H]1COC(=O)N1
InChIInChI=1S/C10H15NO3/c1-4-5-8(12)10(2,3)7-6-14-9(13)11-7/h4-5,7H,6H2,1-3H3,(H,11,13)/b5-4+/t7-/m0/s1
InChIKeyZXZMNYQHSYLENP-KPJROHGDSA-N
XLogP1.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

(4S)-4-acetyl-1,3-oxazolidin-2-one
CID 66831189
5-methyl-2-oxo-1,3-oxazinane-4-carboxylic acid
CID 171036716
4-methylsulfanyl-1,3-oxazolidin-2-one
CID 123293651
(4S,5R)-4-ethenyl-5-methyl-1,3-oxazinan-2-one
CID 55288362
ethane;4-propan-2-yl-1,3-oxazolidin-2-one
CID 143133628
(2E)-N-[(5S)-2,4-dioxo-1,3-oxazinan-5-yl]-2-prop-1-enylpenta-2,4-dienamide
CID 156867033
[(E)-3-(2-oxo-1,3-oxazolidin-4-yl)prop-2-enyl] acetate
CID 91982415
(4S)-4-[(1S,2R)-1,2-dihydroxy-3-methylbutyl]-1,3-oxazolidin-2-one
CID 130978098
4-[(1R)-1-fluoroethyl]-1,3-oxazolidin-2-one
CID 139507497
4-methyl-1,3-oxazolidin-2-one;2-methylprop-1-ene
CID 143059431
sodium (4R)-2-oxo-1,3-oxazolidine-4-carboxylate
CID 140773335
4-methyl-1,3-oxazolidin-2-one;molecular hydrogen
CID 143507654

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E)-2-methyl-3-oxohex-4-en-2-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-[(E)-2-methyl-3-oxohex-4-en-2-yl]-1,3-oxazolidin-2-one (CID 170905240) is (4R)-4-[(E)-2-methyl-3-oxohex-4-en-2-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-[(E)-2-methyl-3-oxohex-4-en-2-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-[(E)-2-methyl-3-oxohex-4-en-2-yl]-1,3-oxazolidin-2-one is C/C=C/C(=O)C(C)(C)[C@@H]1COC(=O)N1.
What is the InChIKey of (4R)-4-[(E)-2-methyl-3-oxohex-4-en-2-yl]-1,3-oxazolidin-2-one?
The InChIKey is ZXZMNYQHSYLENP-KPJROHGDSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-5-8(12)10(2,3)7-6-14-9(13)11-7/h4-5,7H,6H2,1-3H3,(H,11,13)/b5-4+/t7-/m0/s1.
What are the key properties of (4R)-4-[(E)-2-methyl-3-oxohex-4-en-2-yl]-1,3-oxazolidin-2-one?
(4R)-4-[(E)-2-methyl-3-oxohex-4-en-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 197.23 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E)-2-methyl-3-oxohex-4-en-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 170905240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).