5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one

C10H15NO3 — CID 90995535

IUPAC5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one
SMILESCCC=CC(=O)N1CC(C)(C)OC1=O
InChIInChI=1S/C10H15NO3/c1-4-5-6-8(12)11-7-10(2,3)14-9(11)13/h5-6H,4,7H2,1-3H3
InChIKeyWLRDVDGWWACDQV-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.71
Rot. Bonds2

About 5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one

5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one (PubChem CID 90995535) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one
PubChem CID90995535
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one
SMILESCCC=CC(=O)N1CC(C)(C)OC1=O
InChIInChI=1S/C10H15NO3/c1-4-5-6-8(12)11-7-10(2,3)14-9(11)13/h5-6H,4,7H2,1-3H3
InChIKeyWLRDVDGWWACDQV-UHFFFAOYSA-N
XLogP1.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 6-oxo-1,2,3,6-tetrahydropyridine-1-carboxylate
CID 66598173
tert-butyl 2-methyl-5-oxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 10845591
3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one
CID 10511334
3-(2-Hexenoyl)-2-oxazolidinone
CID 10997691
(4S)-3-[(E)-pent-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10242251
3-(4-Methyl-2-pentenoyl)-2-oxazolidinone
CID 10921168
3-But-2-enoyl-5,5-dimethyl-1,3-oxazolidin-2-one
CID 91225666
3-[(Z)-hept-2-enoyl]-1,3-oxazolidin-2-one
CID 101864907
3-[(Z)-hex-2-enoyl]-1,3-oxazolidin-2-one
CID 124514514
3-[(E)-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one
CID 135083576
(4S)-3-[(E)-4-methylpent-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 135085897
3-[(2E,4E)-octa-2,4-dienoyl]-1,3-oxazolidin-2-one
CID 166438971

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one?
The IUPAC name of 5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one (CID 90995535) is 5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one is CCC=CC(=O)N1CC(C)(C)OC1=O.
What is the InChIKey of 5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one?
The InChIKey is WLRDVDGWWACDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-4-5-6-8(12)11-7-10(2,3)14-9(11)13/h5-6H,4,7H2,1-3H3.
What are the key properties of 5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one?
5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one has a molecular weight of 197.23 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-pent-2-enoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 90995535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).