3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one

C17H31NO2 — CID 70290547

IUPAC3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one
SMILESCCCC/C=C\CCCCCCCCN1CCOC1=O
InChIInChI=1S/C17H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-20-17(18)19/h5-6H,2-4,7-16H2,1H3/b6-5-
InChIKeyBBFCSPUOWQUCGQ-WAYWQWQTSA-N
MW281.44 g/mol
LogP4.92
Rot. Bonds12

About 3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one

3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one (PubChem CID 70290547) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one
PubChem CID70290547
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one
SMILESCCCC/C=C\CCCCCCCCN1CCOC1=O
InChIInChI=1S/C17H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-20-17(18)19/h5-6H,2-4,7-16H2,1H3/b6-5-
InChIKeyBBFCSPUOWQUCGQ-WAYWQWQTSA-N
XLogP4.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.92
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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Related Compounds

3-octyl-1,3-oxazolidin-2-one
CID 3565999
3-(10,10-dimethylundecyl)-1,3-oxazolidin-2-one
CID 151323535
1-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]-3-propylurea
CID 110747891
3-[3-(methylamino)propyl]-1,3-oxazolidin-2-one
CID 61350941
1-[(E)-octadec-9-enyl]azepan-2-one
CID 22476676
[(6E)-8-(2-oxo-1,3-oxazolidin-3-yl)octa-1,6-dien-2-yl] acetate
CID 101491940
4-(2-oxo-1,3-oxazolidin-3-yl)butanehydrazide
CID 61405937
3-octadec-9-enyl-2H-1,3-oxazin-6-one
CID 66985808
3-(2-ethylsulfanylethyl)-1,3-oxazolidin-2-one
CID 130297937
3-[4-(methylamino)hexyl]-1,3-oxazolidin-2-one
CID 106800266
3-(2-iodoethyl)-1,3-oxazolidin-2-one
CID 575068
3-(2-bromoethyl)-1,3-oxazolidin-2-one
CID 22757234

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one (CID 70290547) is 3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one is CCCC/C=C\CCCCCCCCN1CCOC1=O.
What is the InChIKey of 3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one?
The InChIKey is BBFCSPUOWQUCGQ-WAYWQWQTSA-N. The full InChI is InChI=1S/C17H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-16-20-17(18)19/h5-6H,2-4,7-16H2,1H3/b6-5-.
What are the key properties of 3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one?
3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one has a molecular weight of 281.44 g/mol, XLogP of 4.92, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-tetradec-9-enyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70290547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).