3-tetradec-9-enoyl-1,3-oxazinan-2-one

C18H31NO3 — CID 70288954

IUPAC3-tetradec-9-enoyl-1,3-oxazinan-2-one
SMILESCCCCC=CCCCCCCCC(=O)N1CCCOC1=O
InChIInChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(20)19-15-13-16-22-18(19)21/h5-6H,2-4,7-16H2,1H3
InChIKeyPMZINVOXFQTMHK-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.83
Rot. Bonds11

About 3-tetradec-9-enoyl-1,3-oxazinan-2-one

3-tetradec-9-enoyl-1,3-oxazinan-2-one (PubChem CID 70288954) has the molecular formula C18H31NO3 and a molecular weight of 309.45 g/mol. Its IUPAC name is 3-tetradec-9-enoyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-tetradec-9-enoyl-1,3-oxazinan-2-one
PubChem CID70288954
Molecular FormulaC18H31NO3
Molecular Weight309.45 g/mol
Exact Mass309.23
IUPAC Name3-tetradec-9-enoyl-1,3-oxazinan-2-one
SMILESCCCCC=CCCCCCCCC(=O)N1CCCOC1=O
InChIInChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(20)19-15-13-16-22-18(19)21/h5-6H,2-4,7-16H2,1H3
InChIKeyPMZINVOXFQTMHK-UHFFFAOYSA-N
XLogP4.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.83
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

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1-Morpholin-4-yloctadec-9-en-1-one
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Linoleoylmorpholine
CID 10948080
N-ethyl-N-ethoxypropyloleamide
CID 88819198
1-Piperidin-1-yloctadeca-9,12-dien-1-one
CID 154084629
Piperidine, 1-(1-oxo-9-octadecenyl)-
CID 5371596
(z)-Dimethyl 3,3'-(oleoylazanediyl)dipropanoate
CID 71726609
N-erucoylmorpholine
CID 129726672
N-erucoylpiperidine
CID 129727976
Tert-butyl 2-oxo-1-azacyclotridec-11-ene-1-carboxylate
CID 135018057

Frequently Asked Questions

What is the IUPAC name of 3-tetradec-9-enoyl-1,3-oxazinan-2-one?
The IUPAC name of 3-tetradec-9-enoyl-1,3-oxazinan-2-one (CID 70288954) is 3-tetradec-9-enoyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-tetradec-9-enoyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-tetradec-9-enoyl-1,3-oxazinan-2-one is CCCCC=CCCCCCCCC(=O)N1CCCOC1=O.
What is the InChIKey of 3-tetradec-9-enoyl-1,3-oxazinan-2-one?
The InChIKey is PMZINVOXFQTMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(20)19-15-13-16-22-18(19)21/h5-6H,2-4,7-16H2,1H3.
What are the key properties of 3-tetradec-9-enoyl-1,3-oxazinan-2-one?
3-tetradec-9-enoyl-1,3-oxazinan-2-one has a molecular weight of 309.45 g/mol, XLogP of 4.83, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tetradec-9-enoyl-1,3-oxazinan-2-one is sourced from PubChem (CID 70288954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).