3-undec-10-enyl-1,3-oxazinan-2-one

C15H27NO2 — CID 18702576

IUPAC3-undec-10-enyl-1,3-oxazinan-2-one
SMILESC=CCCCCCCCCCN1CCCOC1=O
InChIInChI=1S/C15H27NO2/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-14-18-15(16)17/h2H,1,3-14H2
InChIKeyCNNKDEFNLQHRSY-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.14
Rot. Bonds10

About 3-undec-10-enyl-1,3-oxazinan-2-one

3-undec-10-enyl-1,3-oxazinan-2-one (PubChem CID 18702576) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-undec-10-enyl-1,3-oxazinan-2-one.

Molecular Properties

Compound Name3-undec-10-enyl-1,3-oxazinan-2-one
PubChem CID18702576
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3-undec-10-enyl-1,3-oxazinan-2-one
SMILESC=CCCCCCCCCCN1CCCOC1=O
InChIInChI=1S/C15H27NO2/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-14-18-15(16)17/h2H,1,3-14H2
InChIKeyCNNKDEFNLQHRSY-UHFFFAOYSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-undec-10-enyl-1,3-oxazinan-2-one?
The IUPAC name of 3-undec-10-enyl-1,3-oxazinan-2-one (CID 18702576) is 3-undec-10-enyl-1,3-oxazinan-2-one.
What is the SMILES notation for 3-undec-10-enyl-1,3-oxazinan-2-one?
The canonical SMILES for 3-undec-10-enyl-1,3-oxazinan-2-one is C=CCCCCCCCCCN1CCCOC1=O.
What is the InChIKey of 3-undec-10-enyl-1,3-oxazinan-2-one?
The InChIKey is CNNKDEFNLQHRSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-3-4-5-6-7-8-9-10-12-16-13-11-14-18-15(16)17/h2H,1,3-14H2.
What are the key properties of 3-undec-10-enyl-1,3-oxazinan-2-one?
3-undec-10-enyl-1,3-oxazinan-2-one has a molecular weight of 253.39 g/mol, XLogP of 4.14, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undec-10-enyl-1,3-oxazinan-2-one is sourced from PubChem (CID 18702576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).