3-non-8-enoyl-1,3-oxazolidin-2-one

C12H19NO3 — CID 89302555

IUPAC3-non-8-enoyl-1,3-oxazolidin-2-one
SMILESC=CCCCCCCC(=O)N1CCOC1=O
InChIInChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-11(14)13-9-10-16-12(13)15/h2H,1,3-10H2
InChIKeyHBOGXBBSUCLUQN-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.49
Rot. Bonds7

About 3-non-8-enoyl-1,3-oxazolidin-2-one

3-non-8-enoyl-1,3-oxazolidin-2-one (PubChem CID 89302555) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-non-8-enoyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-non-8-enoyl-1,3-oxazolidin-2-one
PubChem CID89302555
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-non-8-enoyl-1,3-oxazolidin-2-one
SMILESC=CCCCCCCC(=O)N1CCOC1=O
InChIInChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-11(14)13-9-10-16-12(13)15/h2H,1,3-10H2
InChIKeyHBOGXBBSUCLUQN-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-nonadec-18-enoylazepan-2-one
CID 19855822
3-[(E)-hex-4-enoyl]-1,3-oxazolidin-2-one
CID 15502915
3-[5-(furan-3-yl)pentanoyl]-1,3-oxazolidin-2-one
CID 141382545
3-[5-(4-fluorophenyl)pentanoyl]-1,3-oxazolidin-2-one
CID 71098231
but-1-ene;1-(4-fluorophenyl)-5-(2-oxo-1,3-oxazolidin-3-yl)pentane-1,5-dione;prop-1-ene
CID 143276417
(4S)-3-hept-6-enoyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11053746
methyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 12032170
3-(5-methylundeca-3,4-dienoyl)-1,3-oxazolidin-2-one
CID 102288208
tert-butyl 3-(2-oxo-1,3-oxazolidine-3-carbonyl)hex-5-enoate;tert-butyl 4-oxo-4-(2-oxo-1,3-oxazolidin-3-yl)butanoate
CID 158150914
2-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]acetic acid
CID 43466082
tricosa-1,22-dien-12-one
CID 86210796
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137

Frequently Asked Questions

What is the IUPAC name of 3-non-8-enoyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-non-8-enoyl-1,3-oxazolidin-2-one (CID 89302555) is 3-non-8-enoyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-non-8-enoyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-non-8-enoyl-1,3-oxazolidin-2-one is C=CCCCCCCC(=O)N1CCOC1=O.
What is the InChIKey of 3-non-8-enoyl-1,3-oxazolidin-2-one?
The InChIKey is HBOGXBBSUCLUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-2-3-4-5-6-7-8-11(14)13-9-10-16-12(13)15/h2H,1,3-10H2.
What are the key properties of 3-non-8-enoyl-1,3-oxazolidin-2-one?
3-non-8-enoyl-1,3-oxazolidin-2-one has a molecular weight of 225.29 g/mol, XLogP of 2.49, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-non-8-enoyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 89302555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).