3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one

C16H25NO2 — CID 66893407

IUPAC3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one
SMILESC=CCCCCCCCCC(=O)C1CC=CNC1=O
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-9-12-15(18)14-11-10-13-17-16(14)19/h2,10,13-14H,1,3-9,11-12H2,(H,17,19)
InChIKeyUCHMQZHWUCAZAP-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.51
Rot. Bonds10

About 3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one

3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one (PubChem CID 66893407) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one.

Molecular Properties

Compound Name3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one
PubChem CID66893407
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one
SMILESC=CCCCCCCCCC(=O)C1CC=CNC1=O
InChIInChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-9-12-15(18)14-11-10-13-17-16(14)19/h2,10,13-14H,1,3-9,11-12H2,(H,17,19)
InChIKeyUCHMQZHWUCAZAP-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.51
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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Frequently Asked Questions

What is the IUPAC name of 3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one?
The IUPAC name of 3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one (CID 66893407) is 3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one.
What is the SMILES notation for 3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one?
The canonical SMILES for 3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one is C=CCCCCCCCCC(=O)C1CC=CNC1=O.
What is the InChIKey of 3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one?
The InChIKey is UCHMQZHWUCAZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-5-6-7-8-9-12-15(18)14-11-10-13-17-16(14)19/h2,10,13-14H,1,3-9,11-12H2,(H,17,19).
What are the key properties of 3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one?
3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one has a molecular weight of 263.38 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undec-10-enoyl-3,4-dihydro-1H-pyridin-2-one is sourced from PubChem (CID 66893407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).