1-dodecyl-5-sulfanylidenepyrrolidin-2-one

C16H29NOS — CID 86249937

IUPAC1-dodecyl-5-sulfanylidenepyrrolidin-2-one
SMILESCCCCCCCCCCCCN1C(=O)CCC1=S
InChIInChI=1S/C16H29NOS/c1-2-3-4-5-6-7-8-9-10-11-14-17-15(18)12-13-16(17)19/h2-14H2,1H3
InChIKeyOVGKQBRVFDMPLF-UHFFFAOYSA-N
MW283.48 g/mol
LogP4.86
Rot. Bonds11

About 1-dodecyl-5-sulfanylidenepyrrolidin-2-one

1-dodecyl-5-sulfanylidenepyrrolidin-2-one (PubChem CID 86249937) has the molecular formula C16H29NOS and a molecular weight of 283.48 g/mol. Its IUPAC name is 1-dodecyl-5-sulfanylidenepyrrolidin-2-one.

Molecular Properties

Compound Name1-dodecyl-5-sulfanylidenepyrrolidin-2-one
PubChem CID86249937
Molecular FormulaC16H29NOS
Molecular Weight283.48 g/mol
Exact Mass283.20
IUPAC Name1-dodecyl-5-sulfanylidenepyrrolidin-2-one
SMILESCCCCCCCCCCCCN1C(=O)CCC1=S
InChIInChI=1S/C16H29NOS/c1-2-3-4-5-6-7-8-9-10-11-14-17-15(18)12-13-16(17)19/h2-14H2,1H3
InChIKeyOVGKQBRVFDMPLF-UHFFFAOYSA-N
XLogP4.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.48
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-dodecyl-5-sulfanylidenepyrrolidin-2-one?
The IUPAC name of 1-dodecyl-5-sulfanylidenepyrrolidin-2-one (CID 86249937) is 1-dodecyl-5-sulfanylidenepyrrolidin-2-one.
What is the SMILES notation for 1-dodecyl-5-sulfanylidenepyrrolidin-2-one?
The canonical SMILES for 1-dodecyl-5-sulfanylidenepyrrolidin-2-one is CCCCCCCCCCCCN1C(=O)CCC1=S.
What is the InChIKey of 1-dodecyl-5-sulfanylidenepyrrolidin-2-one?
The InChIKey is OVGKQBRVFDMPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOS/c1-2-3-4-5-6-7-8-9-10-11-14-17-15(18)12-13-16(17)19/h2-14H2,1H3.
What are the key properties of 1-dodecyl-5-sulfanylidenepyrrolidin-2-one?
1-dodecyl-5-sulfanylidenepyrrolidin-2-one has a molecular weight of 283.48 g/mol, XLogP of 4.86, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodecyl-5-sulfanylidenepyrrolidin-2-one is sourced from PubChem (CID 86249937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).