3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one

C15H23NO3 — CID 11173130

IUPAC3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one
SMILESC=CCCC(C)CC(CC=C)C(=O)N1CCOC1=O
InChIInChI=1S/C15H23NO3/c1-4-6-8-12(3)11-13(7-5-2)14(17)16-9-10-19-15(16)18/h4-5,12-13H,1-2,6-11H2,3H3
InChIKeyDBQSBYBXHXJOGD-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.15
Rot. Bonds8

About 3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one

3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one (PubChem CID 11173130) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one
PubChem CID11173130
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one
SMILESC=CCCC(C)CC(CC=C)C(=O)N1CCOC1=O
InChIInChI=1S/C15H23NO3/c1-4-6-8-12(3)11-13(7-5-2)14(17)16-9-10-19-15(16)18/h4-5,12-13H,1-2,6-11H2,3H3
InChIKeyDBQSBYBXHXJOGD-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.15
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

2-Oxazolidinone, 3-[(4-methyl-3-cyclohexen-1-yl)carbonyl]-
CID 11735941
3-(3-Ethylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
CID 85213600
3-(2-Prop-1-en-2-ylcyclopentanecarbonyl)-1,3-oxazolidin-2-one
CID 101363299
(S)-3-Hept-6-enoyl-4-isopropyl-oxazolidin-2-one
CID 11053746
3-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 14907283
(4S)-3-[(2S)-2,6-Dimethyl-hept-6-enoyl)-4-isopropyl-oxazolidin-2-one
CID 11010979
3-(3-Propylbicyclo[2.2.1]hept-5-ene-2-carbonyl)-1,3-oxazolidin-2-one
CID 13634611
(S)-4-Isopropyl-3-(6-methylhept-6-enoyl)-oxazolidin-2-one
CID 18393304
3-(6-Methylhept-6-enoyl)-1,3-oxazolidin-2-one
CID 69202554
3-[(2R)-2-(2,2-dimethylpropyl)pent-4-enoyl]-1,3-oxazolidin-2-one
CID 10857564
3-[(1S,2R)-2-methylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 11031075
3-[(1S)-3,4-dimethylcyclohex-3-ene-1-carbonyl]-1,3-oxazolidin-2-one
CID 11229810

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one (CID 11173130) is 3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one is C=CCCC(C)CC(CC=C)C(=O)N1CCOC1=O.
What is the InChIKey of 3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one?
The InChIKey is DBQSBYBXHXJOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-6-8-12(3)11-13(7-5-2)14(17)16-9-10-19-15(16)18/h4-5,12-13H,1-2,6-11H2,3H3.
What are the key properties of 3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one?
3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one has a molecular weight of 265.35 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-prop-2-enyloct-7-enoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11173130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).