(3S)-3-undec-10-enoylpiperidin-2-one

C16H27NO2 — CID 66893406

IUPAC(3S)-3-undec-10-enoylpiperidin-2-one
SMILESC=CCCCCCCCCC(=O)[C@@H]1CCCNC1=O
InChIInChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-12-15(18)14-11-10-13-17-16(14)19/h2,14H,1,3-13H2,(H,17,19)/t14-/m0/s1
InChIKeyDACLZCSDMSFOEM-AWEZNQCLSA-N
MW265.40 g/mol
LogP3.39
Rot. Bonds10

About (3S)-3-undec-10-enoylpiperidin-2-one

(3S)-3-undec-10-enoylpiperidin-2-one (PubChem CID 66893406) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (3S)-3-undec-10-enoylpiperidin-2-one.

Molecular Properties

Compound Name(3S)-3-undec-10-enoylpiperidin-2-one
PubChem CID66893406
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(3S)-3-undec-10-enoylpiperidin-2-one
SMILESC=CCCCCCCCCC(=O)[C@@H]1CCCNC1=O
InChIInChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-12-15(18)14-11-10-13-17-16(14)19/h2,14H,1,3-13H2,(H,17,19)/t14-/m0/s1
InChIKeyDACLZCSDMSFOEM-AWEZNQCLSA-N
XLogP3.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-decanoylpiperidin-2-one
CID 23204992
4-hexadec-15-enoylazepan-2-one
CID 67914860
3-nonanoylazepan-2-one
CID 21226503
1-piperidin-3-yloct-7-en-1-one
CID 107010785
3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one
CID 66893407
3-butanoylazepan-2-one
CID 18359756
1-(azepan-2-yl)oct-7-en-1-one
CID 107010905
4-pent-4-enoylazepan-2-one
CID 67914890
3-ethenylpyrrolidin-2-one;icos-1-ene
CID 142741632
1-(9-oxo-9λ4-thiabicyclo[3.3.1]nonan-3-yl)non-8-en-1-one
CID 171945402
1-(thiolan-2-yl)oct-7-en-1-one
CID 57023203
1-(9-azabicyclo[3.3.1]nonan-3-yl)hept-6-en-1-one
CID 171937877

Frequently Asked Questions

What is the IUPAC name of (3S)-3-undec-10-enoylpiperidin-2-one?
The IUPAC name of (3S)-3-undec-10-enoylpiperidin-2-one (CID 66893406) is (3S)-3-undec-10-enoylpiperidin-2-one.
What is the SMILES notation for (3S)-3-undec-10-enoylpiperidin-2-one?
The canonical SMILES for (3S)-3-undec-10-enoylpiperidin-2-one is C=CCCCCCCCCC(=O)[C@@H]1CCCNC1=O.
What is the InChIKey of (3S)-3-undec-10-enoylpiperidin-2-one?
The InChIKey is DACLZCSDMSFOEM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-12-15(18)14-11-10-13-17-16(14)19/h2,14H,1,3-13H2,(H,17,19)/t14-/m0/s1.
What are the key properties of (3S)-3-undec-10-enoylpiperidin-2-one?
(3S)-3-undec-10-enoylpiperidin-2-one has a molecular weight of 265.40 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-undec-10-enoylpiperidin-2-one is sourced from PubChem (CID 66893406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).