3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one

C11H17NO3 — CID 135042937

IUPAC3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one
SMILESC=CCC(C)(C)CC(=O)N1CCOC1=O
InChIInChI=1S/C11H17NO3/c1-4-5-11(2,3)8-9(13)12-6-7-15-10(12)14/h4H,1,5-8H2,2-3H3
InChIKeyYDBJRQXCEPYVOS-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.96
Rot. Bonds4

About 3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one

3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one (PubChem CID 135042937) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one
PubChem CID135042937
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one
SMILESC=CCC(C)(C)CC(=O)N1CCOC1=O
InChIInChI=1S/C11H17NO3/c1-4-5-11(2,3)8-9(13)12-6-7-15-10(12)14/h4H,1,5-8H2,2-3H3
InChIKeyYDBJRQXCEPYVOS-UHFFFAOYSA-N
XLogP1.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-3-Hept-6-enoyl-4-isopropyl-oxazolidin-2-one
CID 11053746
(S)-4-isopropyl-3-(4-pentenoyl)-oxazolidin-2-one
CID 11820460
3,3-Diallyl-1-Boc-pyrrolidin-2-one
CID 53493020
3-Hex-5-enoyl-1,3-oxazolidin-2-one
CID 14972442
3-Hept-6-enoyl-1,3-oxazolidin-2-one
CID 91622577
3-[(2R)-2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 10857564
3-[(1S,2R,5R)-2,5-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 15522338
3-[2-(2,2-Dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 85291110
3-(2-Methylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 85727474
3-(2-Prop-2-enylhexanoyl)-1,3-oxazolidin-2-one
CID 85931226
3-(2-Ethylpent-4-enoyl)-1,3-oxazolidin-2-one
CID 102092257
3-(7-Methoxyhept-6-enoyl)-1,3-oxazolidin-2-one
CID 131887030

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one (CID 135042937) is 3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one is C=CCC(C)(C)CC(=O)N1CCOC1=O.
What is the InChIKey of 3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one?
The InChIKey is YDBJRQXCEPYVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-5-11(2,3)8-9(13)12-6-7-15-10(12)14/h4H,1,5-8H2,2-3H3.
What are the key properties of 3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one?
3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one has a molecular weight of 211.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylhex-5-enoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 135042937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).