3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione

C10H15NO3 — CID 15633447

IUPAC3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione
SMILESCC(=O)C(C(C)=O)=C1NC(C)(C)CO1
InChIInChI=1S/C10H15NO3/c1-6(12)8(7(2)13)9-11-10(3,4)5-14-9/h11H,5H2,1-4H3
InChIKeyWUJVJLWOFDSOOA-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.77
Rot. Bonds2

About 3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione

3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione (PubChem CID 15633447) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione.

Molecular Properties

Compound Name3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione
PubChem CID15633447
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione
SMILESCC(=O)C(C(C)=O)=C1NC(C)(C)CO1
InChIInChI=1S/C10H15NO3/c1-6(12)8(7(2)13)9-11-10(3,4)5-14-9/h11H,5H2,1-4H3
InChIKeyWUJVJLWOFDSOOA-UHFFFAOYSA-N
XLogP0.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione?
The IUPAC name of 3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione (CID 15633447) is 3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione.
What is the SMILES notation for 3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione?
The canonical SMILES for 3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione is CC(=O)C(C(C)=O)=C1NC(C)(C)CO1.
What is the InChIKey of 3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione?
The InChIKey is WUJVJLWOFDSOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6(12)8(7(2)13)9-11-10(3,4)5-14-9/h11H,5H2,1-4H3.
What are the key properties of 3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione?
3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione has a molecular weight of 197.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethyl-1,3-oxazolidin-2-ylidene)pentane-2,4-dione is sourced from PubChem (CID 15633447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).