(E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide

C16H27NO3 — CID 44614388

IUPAC(E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide
SMILESCCCCCCCCC/C=C/C(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h10-11,14H,2-9,12-13H2,1H3,(H,17,18)/b11-10+/t14-/m0/s1
InChIKeyJSKFFGMODSNXFS-VNDWYCCKSA-N
MW281.40 g/mol
LogP3.12
Rot. Bonds10

About (E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide

(E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide (PubChem CID 44614388) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide
PubChem CID44614388
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name(E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide
SMILESCCCCCCCCC/C=C/C(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h10-11,14H,2-9,12-13H2,1H3,(H,17,18)/b11-10+/t14-/m0/s1
InChIKeyJSKFFGMODSNXFS-VNDWYCCKSA-N
XLogP3.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide?
The IUPAC name of (E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide (CID 44614388) is (E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide.
What is the SMILES notation for (E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide?
The canonical SMILES for (E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide is CCCCCCCCC/C=C/C(=O)N[C@H]1CCOC1=O.
What is the InChIKey of (E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide?
The InChIKey is JSKFFGMODSNXFS-VNDWYCCKSA-N. The full InChI is InChI=1S/C16H27NO3/c1-2-3-4-5-6-7-8-9-10-11-15(18)17-14-12-13-20-16(14)19/h10-11,14H,2-9,12-13H2,1H3,(H,17,18)/b11-10+/t14-/m0/s1.
What are the key properties of (E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide?
(E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide has a molecular weight of 281.40 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3S)-2-oxooxolan-3-yl]dodec-2-enamide is sourced from PubChem (CID 44614388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).